source: tests/regression/testsuite@ 8c574b

Action_Thermostats Add_AtomRandomPerturbation Add_FitFragmentPartialChargesAction Add_RotateAroundBondAction Add_SelectAtomByNameAction Added_ParseSaveFragmentResults AddingActions_SaveParseParticleParameters Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_ParticleName_to_Atom Adding_StructOpt_integration_tests AtomFragments Automaking_mpqc_open AutomationFragmentation_failures Candidate_v1.5.4 Candidate_v1.6.0 Candidate_v1.6.1 ChangeBugEmailaddress ChangingTestPorts ChemicalSpaceEvaluator CombiningParticlePotentialParsing Combining_Subpackages Debian_Package_split Debian_package_split_molecuildergui_only Disabling_MemDebug Docu_Python_wait EmpiricalPotential_contain_HomologyGraph EmpiricalPotential_contain_HomologyGraph_documentation Enable_parallel_make_install Enhance_userguide Enhanced_StructuralOptimization Enhanced_StructuralOptimization_continued Example_ManyWaysToTranslateAtom Exclude_Hydrogens_annealWithBondGraph FitPartialCharges_GlobalError Fix_BoundInBox_CenterInBox_MoleculeActions Fix_ChargeSampling_PBC Fix_ChronosMutex Fix_FitPartialCharges Fix_FitPotential_needs_atomicnumbers Fix_ForceAnnealing Fix_IndependentFragmentGrids Fix_ParseParticles Fix_ParseParticles_split_forward_backward_Actions Fix_PopActions Fix_QtFragmentList_sorted_selection Fix_Restrictedkeyset_FragmentMolecule Fix_StatusMsg Fix_StepWorldTime_single_argument Fix_Verbose_Codepatterns Fix_fitting_potentials Fixes ForceAnnealing_goodresults ForceAnnealing_oldresults ForceAnnealing_tocheck ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_continued ForceAnnealing_with_BondGraph_continued_betteresults ForceAnnealing_with_BondGraph_contraction-expansion FragmentAction_writes_AtomFragments FragmentMolecule_checks_bonddegrees GeometryObjects Gui_Fixes Gui_displays_atomic_force_velocity ImplicitCharges IndependentFragmentGrids IndependentFragmentGrids_IndividualZeroInstances IndependentFragmentGrids_IntegrationTest IndependentFragmentGrids_Sole_NN_Calculation JobMarket_RobustOnKillsSegFaults JobMarket_StableWorkerPool JobMarket_unresolvable_hostname_fix MoreRobust_FragmentAutomation ODR_violation_mpqc_open PartialCharges_OrthogonalSummation PdbParser_setsAtomName PythonUI_with_named_parameters QtGui_reactivate_TimeChanged_changes Recreated_GuiChecks Rewrite_FitPartialCharges RotateToPrincipalAxisSystem_UndoRedo SaturateAtoms_findBestMatching SaturateAtoms_singleDegree StoppableMakroAction Subpackage_CodePatterns Subpackage_JobMarket Subpackage_LinearAlgebra Subpackage_levmar Subpackage_mpqc_open Subpackage_vmg Switchable_LogView ThirdParty_MPQC_rebuilt_buildsystem TrajectoryDependenant_MaxOrder TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps TremoloParser_setsAtomName Ubuntu_1604_changes stable
Last change on this file since 8c574b was 8c574b, checked in by Frederik Heber <heber@…>, 15 years ago

Split up testsuite into several at-scripts.

  • the testsuite has grown quite large due to the numerous new tests and is more readible now.
  • Property mode set to 100755
File size: 185.4 KB
Line 
1#! /bin/sh
2# Generated from ../../../../molecuilder/tests/regression/testsuite.at by GNU Autoconf 2.65.
3#
4# Copyright (C) 2009 Free Software Foundation, Inc.
5#
6# This test suite is free software; the Free Software Foundation gives
7# unlimited permission to copy, distribute and modify it.
8## -------------------- ##
9## M4sh Initialization. ##
10## -------------------- ##
11
12# Be more Bourne compatible
13DUALCASE=1; export DUALCASE # for MKS sh
14if test -n "${ZSH_VERSION+set}" && (emulate sh) >/dev/null 2>&1; then :
15 emulate sh
16 NULLCMD=:
17 # Pre-4.2 versions of Zsh do word splitting on ${1+"$@"}, which
18 # is contrary to our usage. Disable this feature.
19 alias -g '${1+"$@"}'='"$@"'
20 setopt NO_GLOB_SUBST
21else
22 case `(set -o) 2>/dev/null` in #(
23 *posix*) :
24 set -o posix ;; #(
25 *) :
26 ;;
27esac
28fi
29
30
31as_nl='
32'
33export as_nl
34# Printing a long string crashes Solaris 7 /usr/bin/printf.
35as_echo='\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\'
36as_echo=$as_echo$as_echo$as_echo$as_echo$as_echo
37as_echo=$as_echo$as_echo$as_echo$as_echo$as_echo$as_echo
38# Prefer a ksh shell builtin over an external printf program on Solaris,
39# but without wasting forks for bash or zsh.
40if test -z "$BASH_VERSION$ZSH_VERSION" \
41 && (test "X`print -r -- $as_echo`" = "X$as_echo") 2>/dev/null; then
42 as_echo='print -r --'
43 as_echo_n='print -rn --'
44elif (test "X`printf %s $as_echo`" = "X$as_echo") 2>/dev/null; then
45 as_echo='printf %s\n'
46 as_echo_n='printf %s'
47else
48 if test "X`(/usr/ucb/echo -n -n $as_echo) 2>/dev/null`" = "X-n $as_echo"; then
49 as_echo_body='eval /usr/ucb/echo -n "$1$as_nl"'
50 as_echo_n='/usr/ucb/echo -n'
51 else
52 as_echo_body='eval expr "X$1" : "X\\(.*\\)"'
53 as_echo_n_body='eval
54 arg=$1;
55 case $arg in #(
56 *"$as_nl"*)
57 expr "X$arg" : "X\\(.*\\)$as_nl";
58 arg=`expr "X$arg" : ".*$as_nl\\(.*\\)"`;;
59 esac;
60 expr "X$arg" : "X\\(.*\\)" | tr -d "$as_nl"
61 '
62 export as_echo_n_body
63 as_echo_n='sh -c $as_echo_n_body as_echo'
64 fi
65 export as_echo_body
66 as_echo='sh -c $as_echo_body as_echo'
67fi
68
69# The user is always right.
70if test "${PATH_SEPARATOR+set}" != set; then
71 PATH_SEPARATOR=:
72 (PATH='/bin;/bin'; FPATH=$PATH; sh -c :) >/dev/null 2>&1 && {
73 (PATH='/bin:/bin'; FPATH=$PATH; sh -c :) >/dev/null 2>&1 ||
74 PATH_SEPARATOR=';'
75 }
76fi
77
78
79# IFS
80# We need space, tab and new line, in precisely that order. Quoting is
81# there to prevent editors from complaining about space-tab.
82# (If _AS_PATH_WALK were called with IFS unset, it would disable word
83# splitting by setting IFS to empty value.)
84IFS=" "" $as_nl"
85
86# Find who we are. Look in the path if we contain no directory separator.
87case $0 in #((
88 *[\\/]* ) as_myself=$0 ;;
89 *) as_save_IFS=$IFS; IFS=$PATH_SEPARATOR
90for as_dir in $PATH
91do
92 IFS=$as_save_IFS
93 test -z "$as_dir" && as_dir=.
94 test -r "$as_dir/$0" && as_myself=$as_dir/$0 && break
95 done
96IFS=$as_save_IFS
97
98 ;;
99esac
100# We did not find ourselves, most probably we were run as `sh COMMAND'
101# in which case we are not to be found in the path.
102if test "x$as_myself" = x; then
103 as_myself=$0
104fi
105if test ! -f "$as_myself"; then
106 $as_echo "$as_myself: error: cannot find myself; rerun with an absolute file name" >&2
107 exit 1
108fi
109
110# Unset variables that we do not need and which cause bugs (e.g. in
111# pre-3.0 UWIN ksh). But do not cause bugs in bash 2.01; the "|| exit 1"
112# suppresses any "Segmentation fault" message there. '((' could
113# trigger a bug in pdksh 5.2.14.
114for as_var in BASH_ENV ENV MAIL MAILPATH
115do eval test x\${$as_var+set} = xset \
116 && ( (unset $as_var) || exit 1) >/dev/null 2>&1 && unset $as_var || :
117done
118PS1='$ '
119PS2='> '
120PS4='+ '
121
122# NLS nuisances.
123LC_ALL=C
124export LC_ALL
125LANGUAGE=C
126export LANGUAGE
127
128# CDPATH.
129(unset CDPATH) >/dev/null 2>&1 && unset CDPATH
130
131if test "x$CONFIG_SHELL" = x; then
132 as_bourne_compatible="if test -n \"\${ZSH_VERSION+set}\" && (emulate sh) >/dev/null 2>&1; then :
133 emulate sh
134 NULLCMD=:
135 # Pre-4.2 versions of Zsh do word splitting on \${1+\"\$@\"}, which
136 # is contrary to our usage. Disable this feature.
137 alias -g '\${1+\"\$@\"}'='\"\$@\"'
138 setopt NO_GLOB_SUBST
139else
140 case \`(set -o) 2>/dev/null\` in #(
141 *posix*) :
142 set -o posix ;; #(
143 *) :
144 ;;
145esac
146fi
147"
148 as_required="as_fn_return () { (exit \$1); }
149as_fn_success () { as_fn_return 0; }
150as_fn_failure () { as_fn_return 1; }
151as_fn_ret_success () { return 0; }
152as_fn_ret_failure () { return 1; }
153
154exitcode=0
155as_fn_success || { exitcode=1; echo as_fn_success failed.; }
156as_fn_failure && { exitcode=1; echo as_fn_failure succeeded.; }
157as_fn_ret_success || { exitcode=1; echo as_fn_ret_success failed.; }
158as_fn_ret_failure && { exitcode=1; echo as_fn_ret_failure succeeded.; }
159if ( set x; as_fn_ret_success y && test x = \"\$1\" ); then :
160
161else
162 exitcode=1; echo positional parameters were not saved.
163fi
164test x\$exitcode = x0 || exit 1"
165 as_suggested=" as_lineno_1=";as_suggested=$as_suggested$LINENO;as_suggested=$as_suggested" as_lineno_1a=\$LINENO
166 as_lineno_2=";as_suggested=$as_suggested$LINENO;as_suggested=$as_suggested" as_lineno_2a=\$LINENO
167 eval 'test \"x\$as_lineno_1'\$as_run'\" != \"x\$as_lineno_2'\$as_run'\" &&
168 test \"x\`expr \$as_lineno_1'\$as_run' + 1\`\" = \"x\$as_lineno_2'\$as_run'\"' || exit 1
169test \$(( 1 + 1 )) = 2 || exit 1"
170 if (eval "$as_required") 2>/dev/null; then :
171 as_have_required=yes
172else
173 as_have_required=no
174fi
175 if test x$as_have_required = xyes && (eval "$as_suggested") 2>/dev/null; then :
176
177else
178 as_save_IFS=$IFS; IFS=$PATH_SEPARATOR
179as_found=false
180for as_dir in /bin$PATH_SEPARATOR/usr/bin$PATH_SEPARATOR$PATH
181do
182 IFS=$as_save_IFS
183 test -z "$as_dir" && as_dir=.
184 as_found=:
185 case $as_dir in #(
186 /*)
187 for as_base in sh bash ksh sh5; do
188 # Try only shells that exist, to save several forks.
189 as_shell=$as_dir/$as_base
190 if { test -f "$as_shell" || test -f "$as_shell.exe"; } &&
191 { $as_echo "$as_bourne_compatible""$as_required" | as_run=a "$as_shell"; } 2>/dev/null; then :
192 CONFIG_SHELL=$as_shell as_have_required=yes
193 if { $as_echo "$as_bourne_compatible""$as_suggested" | as_run=a "$as_shell"; } 2>/dev/null; then :
194 break 2
195fi
196fi
197 done;;
198 esac
199 as_found=false
200done
201$as_found || { if { test -f "$SHELL" || test -f "$SHELL.exe"; } &&
202 { $as_echo "$as_bourne_compatible""$as_required" | as_run=a "$SHELL"; } 2>/dev/null; then :
203 CONFIG_SHELL=$SHELL as_have_required=yes
204fi; }
205IFS=$as_save_IFS
206
207
208 if test "x$CONFIG_SHELL" != x; then :
209 # We cannot yet assume a decent shell, so we have to provide a
210 # neutralization value for shells without unset; and this also
211 # works around shells that cannot unset nonexistent variables.
212 BASH_ENV=/dev/null
213 ENV=/dev/null
214 (unset BASH_ENV) >/dev/null 2>&1 && unset BASH_ENV ENV
215 export CONFIG_SHELL
216 exec "$CONFIG_SHELL" "$as_myself" ${1+"$@"}
217fi
218
219 if test x$as_have_required = xno; then :
220 $as_echo "$0: This script requires a shell more modern than all"
221 $as_echo "$0: the shells that I found on your system."
222 if test x${ZSH_VERSION+set} = xset ; then
223 $as_echo "$0: In particular, zsh $ZSH_VERSION has bugs and should"
224 $as_echo "$0: be upgraded to zsh 4.3.4 or later."
225 else
226 $as_echo "$0: Please tell bug-autoconf@gnu.org about your system,
227$0: including any error possibly output before this
228$0: message. Then install a modern shell, or manually run
229$0: the script under such a shell if you do have one."
230 fi
231 exit 1
232fi
233fi
234fi
235SHELL=${CONFIG_SHELL-/bin/sh}
236export SHELL
237# Unset more variables known to interfere with behavior of common tools.
238CLICOLOR_FORCE= GREP_OPTIONS=
239unset CLICOLOR_FORCE GREP_OPTIONS
240
241## --------------------- ##
242## M4sh Shell Functions. ##
243## --------------------- ##
244# as_fn_unset VAR
245# ---------------
246# Portably unset VAR.
247as_fn_unset ()
248{
249 { eval $1=; unset $1;}
250}
251as_unset=as_fn_unset
252
253# as_fn_set_status STATUS
254# -----------------------
255# Set $? to STATUS, without forking.
256as_fn_set_status ()
257{
258 return $1
259} # as_fn_set_status
260
261# as_fn_exit STATUS
262# -----------------
263# Exit the shell with STATUS, even in a "trap 0" or "set -e" context.
264as_fn_exit ()
265{
266 set +e
267 as_fn_set_status $1
268 exit $1
269} # as_fn_exit
270
271# as_fn_mkdir_p
272# -------------
273# Create "$as_dir" as a directory, including parents if necessary.
274as_fn_mkdir_p ()
275{
276
277 case $as_dir in #(
278 -*) as_dir=./$as_dir;;
279 esac
280 test -d "$as_dir" || eval $as_mkdir_p || {
281 as_dirs=
282 while :; do
283 case $as_dir in #(
284 *\'*) as_qdir=`$as_echo "$as_dir" | sed "s/'/'\\\\\\\\''/g"`;; #'(
285 *) as_qdir=$as_dir;;
286 esac
287 as_dirs="'$as_qdir' $as_dirs"
288 as_dir=`$as_dirname -- "$as_dir" ||
289$as_expr X"$as_dir" : 'X\(.*[^/]\)//*[^/][^/]*/*$' \| \
290 X"$as_dir" : 'X\(//\)[^/]' \| \
291 X"$as_dir" : 'X\(//\)$' \| \
292 X"$as_dir" : 'X\(/\)' \| . 2>/dev/null ||
293$as_echo X"$as_dir" |
294 sed '/^X\(.*[^/]\)\/\/*[^/][^/]*\/*$/{
295 s//\1/
296 q
297 }
298 /^X\(\/\/\)[^/].*/{
299 s//\1/
300 q
301 }
302 /^X\(\/\/\)$/{
303 s//\1/
304 q
305 }
306 /^X\(\/\).*/{
307 s//\1/
308 q
309 }
310 s/.*/./; q'`
311 test -d "$as_dir" && break
312 done
313 test -z "$as_dirs" || eval "mkdir $as_dirs"
314 } || test -d "$as_dir" || as_fn_error "cannot create directory $as_dir"
315
316
317} # as_fn_mkdir_p
318# as_fn_append VAR VALUE
319# ----------------------
320# Append the text in VALUE to the end of the definition contained in VAR. Take
321# advantage of any shell optimizations that allow amortized linear growth over
322# repeated appends, instead of the typical quadratic growth present in naive
323# implementations.
324if (eval "as_var=1; as_var+=2; test x\$as_var = x12") 2>/dev/null; then :
325 eval 'as_fn_append ()
326 {
327 eval $1+=\$2
328 }'
329else
330 as_fn_append ()
331 {
332 eval $1=\$$1\$2
333 }
334fi # as_fn_append
335
336# as_fn_arith ARG...
337# ------------------
338# Perform arithmetic evaluation on the ARGs, and store the result in the
339# global $as_val. Take advantage of shells that can avoid forks. The arguments
340# must be portable across $(()) and expr.
341if (eval "test \$(( 1 + 1 )) = 2") 2>/dev/null; then :
342 eval 'as_fn_arith ()
343 {
344 as_val=$(( $* ))
345 }'
346else
347 as_fn_arith ()
348 {
349 as_val=`expr "$@" || test $? -eq 1`
350 }
351fi # as_fn_arith
352
353
354# as_fn_error ERROR [LINENO LOG_FD]
355# ---------------------------------
356# Output "`basename $0`: error: ERROR" to stderr. If LINENO and LOG_FD are
357# provided, also output the error to LOG_FD, referencing LINENO. Then exit the
358# script with status $?, using 1 if that was 0.
359as_fn_error ()
360{
361 as_status=$?; test $as_status -eq 0 && as_status=1
362 if test "$3"; then
363 as_lineno=${as_lineno-"$2"} as_lineno_stack=as_lineno_stack=$as_lineno_stack
364 $as_echo "$as_me:${as_lineno-$LINENO}: error: $1" >&$3
365 fi
366 $as_echo "$as_me: error: $1" >&2
367 as_fn_exit $as_status
368} # as_fn_error
369
370if expr a : '\(a\)' >/dev/null 2>&1 &&
371 test "X`expr 00001 : '.*\(...\)'`" = X001; then
372 as_expr=expr
373else
374 as_expr=false
375fi
376
377if (basename -- /) >/dev/null 2>&1 && test "X`basename -- / 2>&1`" = "X/"; then
378 as_basename=basename
379else
380 as_basename=false
381fi
382
383as_me=`$as_basename -- "$0" ||
384$as_expr X/"$0" : '.*/\([^/][^/]*\)/*$' \| \
385 X"$0" : 'X\(//\)$' \| \
386 X"$0" : 'X\(/\)' \| . 2>/dev/null ||
387$as_echo X/"$0" |
388 sed '/^.*\/\([^/][^/]*\)\/*$/{
389 s//\1/
390 q
391 }
392 /^X\/\(\/\/\)$/{
393 s//\1/
394 q
395 }
396 /^X\/\(\/\).*/{
397 s//\1/
398 q
399 }
400 s/.*/./; q'`
401
402if (as_dir=`dirname -- /` && test "X$as_dir" = X/) >/dev/null 2>&1; then
403 as_dirname=dirname
404else
405 as_dirname=false
406fi
407
408# Avoid depending upon Character Ranges.
409as_cr_letters='abcdefghijklmnopqrstuvwxyz'
410as_cr_LETTERS='ABCDEFGHIJKLMNOPQRSTUVWXYZ'
411as_cr_Letters=$as_cr_letters$as_cr_LETTERS
412as_cr_digits='0123456789'
413as_cr_alnum=$as_cr_Letters$as_cr_digits
414
415
416 as_lineno_1=$LINENO as_lineno_1a=$LINENO
417 as_lineno_2=$LINENO as_lineno_2a=$LINENO
418 eval 'test "x$as_lineno_1'$as_run'" != "x$as_lineno_2'$as_run'" &&
419 test "x`expr $as_lineno_1'$as_run' + 1`" = "x$as_lineno_2'$as_run'"' || {
420 # Blame Lee E. McMahon (1931-1989) for sed's syntax. :-)
421 sed -n '
422 p
423 /[$]LINENO/=
424 ' <$as_myself |
425 sed '
426 s/[$]LINENO.*/&-/
427 t lineno
428 b
429 :lineno
430 N
431 :loop
432 s/[$]LINENO\([^'$as_cr_alnum'_].*\n\)\(.*\)/\2\1\2/
433 t loop
434 s/-\n.*//
435 ' >$as_me.lineno &&
436 chmod +x "$as_me.lineno" ||
437 { $as_echo "$as_me: error: cannot create $as_me.lineno; rerun with a POSIX shell" >&2; as_fn_exit 1; }
438
439 # Don't try to exec as it changes $[0], causing all sort of problems
440 # (the dirname of $[0] is not the place where we might find the
441 # original and so on. Autoconf is especially sensitive to this).
442 . "./$as_me.lineno"
443 # Exit status is that of the last command.
444 exit
445}
446
447ECHO_C= ECHO_N= ECHO_T=
448case `echo -n x` in #(((((
449-n*)
450 case `echo 'xy\c'` in
451 *c*) ECHO_T=' ';; # ECHO_T is single tab character.
452 xy) ECHO_C='\c';;
453 *) echo `echo ksh88 bug on AIX 6.1` > /dev/null
454 ECHO_T=' ';;
455 esac;;
456*)
457 ECHO_N='-n';;
458esac
459
460rm -f conf$$ conf$$.exe conf$$.file
461if test -d conf$$.dir; then
462 rm -f conf$$.dir/conf$$.file
463else
464 rm -f conf$$.dir
465 mkdir conf$$.dir 2>/dev/null
466fi
467if (echo >conf$$.file) 2>/dev/null; then
468 if ln -s conf$$.file conf$$ 2>/dev/null; then
469 as_ln_s='ln -s'
470 # ... but there are two gotchas:
471 # 1) On MSYS, both `ln -s file dir' and `ln file dir' fail.
472 # 2) DJGPP < 2.04 has no symlinks; `ln -s' creates a wrapper executable.
473 # In both cases, we have to default to `cp -p'.
474 ln -s conf$$.file conf$$.dir 2>/dev/null && test ! -f conf$$.exe ||
475 as_ln_s='cp -p'
476 elif ln conf$$.file conf$$ 2>/dev/null; then
477 as_ln_s=ln
478 else
479 as_ln_s='cp -p'
480 fi
481else
482 as_ln_s='cp -p'
483fi
484rm -f conf$$ conf$$.exe conf$$.dir/conf$$.file conf$$.file
485rmdir conf$$.dir 2>/dev/null
486
487if mkdir -p . 2>/dev/null; then
488 as_mkdir_p='mkdir -p "$as_dir"'
489else
490 test -d ./-p && rmdir ./-p
491 as_mkdir_p=false
492fi
493
494if test -x / >/dev/null 2>&1; then
495 as_test_x='test -x'
496else
497 if ls -dL / >/dev/null 2>&1; then
498 as_ls_L_option=L
499 else
500 as_ls_L_option=
501 fi
502 as_test_x='
503 eval sh -c '\''
504 if test -d "$1"; then
505 test -d "$1/.";
506 else
507 case $1 in #(
508 -*)set "./$1";;
509 esac;
510 case `ls -ld'$as_ls_L_option' "$1" 2>/dev/null` in #((
511 ???[sx]*):;;*)false;;esac;fi
512 '\'' sh
513 '
514fi
515as_executable_p=$as_test_x
516
517# Sed expression to map a string onto a valid CPP name.
518as_tr_cpp="eval sed 'y%*$as_cr_letters%P$as_cr_LETTERS%;s%[^_$as_cr_alnum]%_%g'"
519
520# Sed expression to map a string onto a valid variable name.
521as_tr_sh="eval sed 'y%*+%pp%;s%[^_$as_cr_alnum]%_%g'"
522
523
524
525
526
527SHELL=${CONFIG_SHELL-/bin/sh}
528
529# How were we run?
530at_cli_args="$@"
531
532
533# Not all shells have the 'times' builtin; the subshell is needed to make
534# sure we discard the 'times: not found' message from the shell.
535at_times_p=false
536(times) >/dev/null 2>&1 && at_times_p=:
537
538# CLI Arguments to pass to the debugging scripts.
539at_debug_args=
540# -e sets to true
541at_errexit_p=false
542# Shall we be verbose? ':' means no, empty means yes.
543at_verbose=:
544at_quiet=
545# Running several jobs in parallel, 0 means as many as test groups.
546at_jobs=1
547at_traceon=:
548at_trace_echo=:
549at_check_filter_trace=:
550
551# Shall we keep the debug scripts? Must be `:' when the suite is
552# run by a debug script, so that the script doesn't remove itself.
553at_debug_p=false
554# Display help message?
555at_help_p=false
556# Display the version message?
557at_version_p=false
558# List test groups?
559at_list_p=false
560# --clean
561at_clean=false
562# Test groups to run
563at_groups=
564# Whether a write failure occurred
565at_write_fail=0
566
567# The directory we run the suite in. Default to . if no -C option.
568at_dir=`pwd`
569# An absolute reference to this testsuite script.
570case $as_myself in
571 [\\/]* | ?:[\\/]* ) at_myself=$as_myself ;;
572 * ) at_myself=$at_dir/$as_myself ;;
573esac
574# Whether -C is in effect.
575at_change_dir=false
576
577# List of the tested programs.
578at_tested='diff
579fgrep
580grep'
581# List of the all the test groups.
582at_groups_all=' 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45'
583# As many question marks as there are digits in the last test group number.
584# Used to normalize the test group numbers so that `ls' lists them in
585# numerical order.
586at_format='??'
587# Description of all the test groups.
588at_help_all="1;testsuite-standard_options.at:3;Standard Options - verbosity;options;
5892;testsuite-standard_options.at:11;Standard Options - help screen;options;
5903;testsuite-standard_options.at:18;Standard Options - no element database;options;
5914;testsuite-standard_options.at:25;Standard Options - element database;options;
5925;testsuite-standard_options.at:39;Standard Options - bond length table;options;
5936;testsuite-standard_options.at:51;Standard Options - fast trajectories;options;
5947;testsuite-standard_options.at:58;Standard Options - molecule default name;options;
5958;testsuite-specifics.at:3;Specifics - MPQC basis;options;
5969;testsuite-simple_configuration.at:3;Simple configuration - xyz file generation;configuration;
59710;testsuite-simple_configuration.at:13;Simple configuration - parsing xyz file;configuration;
59811;testsuite-simple_configuration.at:25;Simple configuration - adding atom;configuration;
59912;testsuite-simple_configuration.at:34;Simple configuration - Changing element;configuration;
60013;testsuite-simple_configuration.at:42;Simple configuration - Atom removal;configuration;
60114;testsuite-simple_configuration.at:52;Simple configuration - invalid commands on empty configs;configuration;
60215;testsuite-simple_configuration.at:60;Simple configuration - invalid commands on present configs;configuration;
60316;testsuite-simple_configuration.at:86;Simple configuration - BROKEN: Removing sphere of atoms;configuration;
60417;testsuite-domain.at:3;Domain - defining simulation domain;domain;
60518;testsuite-domain.at:11;Domain - setting and centering in domain;domain;
60619;testsuite-domain.at:19;Domain - centering with defined boundary;domain;
60720;testsuite-domain.at:27;Domain - centering and setting domain;domain;
60821;testsuite-domain.at:35;Domain - scaling box;domain;
60922;testsuite-domain.at:43;Domain - duplicating box;domain;
61023;testsuite-graph.at:3;Graph - DFS analysis;graph;
61124;testsuite-graph.at:11;Graph - subgraph dissection;graph;
61225;testsuite-molecules.at:3;Molecules - Bonds from file;molecules;
61326;testsuite-molecules.at:11;Molecules - Storing bond info;molecules;
61427;testsuite-molecules.at:21;Molecules - Storing temperature;molecules;
61528;testsuite-molecules.at:29;Molecules - BROKEN: Linear interpolation;molecules;
61629;testsuite-molecules.at:36;Molecules - BROKEN: Verlet force integration;molecules;
61730;testsuite-molecules.at:44;Molecules - Translation;molecules;
61831;testsuite-molecules.at:52;Molecules - Periodic translation;molecules;
61932;testsuite-molecules.at:60;Molecules - BROKEN: Rotate to PAS;molecules;
62033;testsuite-fragmentation.at:3;Fragmentation - Checking present config;fragmentation;
62134;testsuite-fragmentation.at:12;Fragmentation - Fragmentation;;
62235;testsuite-fragmentation.at:21;Fragmentation - Fragmentation is at MaxOrder;;
62336;testsuite-tesselation.at:3;Tesselation - Non-Convex Envelope;tesselation;
62437;testsuite-tesselation.at:12;Tesselation - Convex Envelope;;
62538;testsuite-tesselation.at:22;Tesselation - Big non-Convex Envelope;;
62639;testsuite-filling.at:3;Filling - filling empty box;filling;
62740;testsuite-filling.at:17;Filling - BROKEN: suspend in water;filling;
62841;testsuite-analysis.at:3;Analysis - pair correlation;analysis;
62942;testsuite-analysis.at:13;Analysis - pair correlation range test;analysis;
63043;testsuite-analysis.at:28;Analysis - point correlation;analysis;
63144;testsuite-analysis.at:38;Analysis - surface correlation;analysis;
63245;testsuite-analysis.at:48;Analysis - principal axis system;analysis;
633"
634
635# at_fn_validate_ranges NAME...
636# -----------------------------
637# Validate and normalize the test group number contained in each variable
638# NAME. Leading zeroes are treated as decimal.
639at_fn_validate_ranges ()
640{
641 for at_grp
642 do
643 eval at_value=\$$at_grp
644 if test $at_value -lt 1 || test $at_value -gt 45; then
645 $as_echo "invalid test group: $at_value" >&2
646 exit 1
647 fi
648 case $at_value in
649 0*) # We want to treat leading 0 as decimal, like expr and test, but
650 # AS_VAR_ARITH treats it as octal if it uses $(( )).
651 # With XSI shells, ${at_value#${at_value%%[1-9]*}} avoids the
652 # expr fork, but it is not worth the effort to determine if the
653 # shell supports XSI when the user can just avoid leading 0.
654 eval $at_grp='`expr $at_value + 0`' ;;
655 esac
656 done
657}
658
659at_prev=
660for at_option
661do
662 # If the previous option needs an argument, assign it.
663 if test -n "$at_prev"; then
664 at_option=$at_prev=$at_option
665 at_prev=
666 fi
667
668 case $at_option in
669 *=*) at_optarg=`expr "x$at_option" : 'x[^=]*=\(.*\)'` ;;
670 *) at_optarg= ;;
671 esac
672
673 # Accept the important Cygnus configure options, so we can diagnose typos.
674
675 case $at_option in
676 --help | -h )
677 at_help_p=:
678 ;;
679
680 --list | -l )
681 at_list_p=:
682 ;;
683
684 --version | -V )
685 at_version_p=:
686 ;;
687
688 --clean | -c )
689 at_clean=:
690 ;;
691
692 --debug | -d )
693 at_debug_p=:
694 ;;
695
696 --errexit | -e )
697 at_debug_p=:
698 at_errexit_p=:
699 ;;
700
701 --verbose | -v )
702 at_verbose=; at_quiet=:
703 ;;
704
705 --trace | -x )
706 at_traceon='set -x'
707 at_trace_echo=echo
708 at_check_filter_trace=at_fn_filter_trace
709 ;;
710
711 [0-9] | [0-9][0-9] | [0-9][0-9][0-9] | [0-9][0-9][0-9][0-9])
712 at_fn_validate_ranges at_option
713 as_fn_append at_groups "$at_option "
714 ;;
715
716 # Ranges
717 [0-9]- | [0-9][0-9]- | [0-9][0-9][0-9]- | [0-9][0-9][0-9][0-9]-)
718 at_range_start=`echo $at_option |tr -d X-`
719 at_fn_validate_ranges at_range_start
720 at_range=`$as_echo " $at_groups_all " | \
721 sed -e 's/^.* \('$at_range_start' \)/\1/'`
722 as_fn_append at_groups "$at_range "
723 ;;
724
725 -[0-9] | -[0-9][0-9] | -[0-9][0-9][0-9] | -[0-9][0-9][0-9][0-9])
726 at_range_end=`echo $at_option |tr -d X-`
727 at_fn_validate_ranges at_range_end
728 at_range=`$as_echo " $at_groups_all " | \
729 sed -e 's/\( '$at_range_end'\) .*$/\1/'`
730 as_fn_append at_groups "$at_range "
731 ;;
732
733 [0-9]-[0-9] | [0-9]-[0-9][0-9] | [0-9]-[0-9][0-9][0-9] | \
734 [0-9]-[0-9][0-9][0-9][0-9] | [0-9][0-9]-[0-9][0-9] | \
735 [0-9][0-9]-[0-9][0-9][0-9] | [0-9][0-9]-[0-9][0-9][0-9][0-9] | \
736 [0-9][0-9][0-9]-[0-9][0-9][0-9] | \
737 [0-9][0-9][0-9]-[0-9][0-9][0-9][0-9] | \
738 [0-9][0-9][0-9][0-9]-[0-9][0-9][0-9][0-9] )
739 at_range_start=`expr $at_option : '\(.*\)-'`
740 at_range_end=`expr $at_option : '.*-\(.*\)'`
741 if test $at_range_start -gt $at_range_end; then
742 at_tmp=$at_range_end
743 at_range_end=$at_range_start
744 at_range_start=$at_tmp
745 fi
746 at_fn_validate_ranges at_range_start at_range_end
747 at_range=`$as_echo " $at_groups_all " | \
748 sed -e 's/^.*\( '$at_range_start' \)/\1/' \
749 -e 's/\( '$at_range_end'\) .*$/\1/'`
750 as_fn_append at_groups "$at_range "
751 ;;
752
753 # Directory selection.
754 --directory | -C )
755 at_prev=--directory
756 ;;
757 --directory=* )
758 at_change_dir=:
759 at_dir=$at_optarg
760 ;;
761
762 # Parallel execution.
763 --jobs | -j )
764 at_jobs=0
765 ;;
766 --jobs=* | -j[0-9]* )
767 if test -n "$at_optarg"; then
768 at_jobs=$at_optarg
769 else
770 at_jobs=`expr X$at_option : 'X-j\(.*\)'`
771 fi
772 case $at_jobs in *[!0-9]*)
773 at_optname=`echo " $at_option" | sed 's/^ //; s/[0-9=].*//'`
774 as_fn_error "non-numeric argument to $at_optname: $at_jobs" ;;
775 esac
776 ;;
777
778 # Keywords.
779 --keywords | -k )
780 at_prev=--keywords
781 ;;
782 --keywords=* )
783 at_groups_selected=$at_help_all
784 at_save_IFS=$IFS
785 IFS=,
786 set X $at_optarg
787 shift
788 IFS=$at_save_IFS
789 for at_keyword
790 do
791 at_invert=
792 case $at_keyword in
793 '!'*)
794 at_invert="-v"
795 at_keyword=`expr "X$at_keyword" : 'X!\(.*\)'`
796 ;;
797 esac
798 # It is on purpose that we match the test group titles too.
799 at_groups_selected=`$as_echo "$at_groups_selected" |
800 grep -i $at_invert "^[1-9][^;]*;.*[; ]$at_keyword[ ;]"`
801 done
802 # Smash the newlines.
803 at_groups_selected=`$as_echo "$at_groups_selected" | sed 's/;.*//' |
804 tr "$as_nl" ' '
805 `
806 as_fn_append at_groups "$at_groups_selected "
807 ;;
808
809 *=*)
810 at_envvar=`expr "x$at_option" : 'x\([^=]*\)='`
811 # Reject names that are not valid shell variable names.
812 case $at_envvar in
813 '' | [0-9]* | *[!_$as_cr_alnum]* )
814 as_fn_error "invalid variable name: \`$at_envvar'" ;;
815 esac
816 at_value=`$as_echo "$at_optarg" | sed "s/'/'\\\\\\\\''/g"`
817 # Export now, but save eval for later and for debug scripts.
818 export $at_envvar
819 as_fn_append at_debug_args " $at_envvar='$at_value'"
820 ;;
821
822 *) $as_echo "$as_me: invalid option: $at_option" >&2
823 $as_echo "Try \`$0 --help' for more information." >&2
824 exit 1
825 ;;
826 esac
827done
828
829# Verify our last option didn't require an argument
830if test -n "$at_prev"; then :
831 as_fn_error "\`$at_prev' requires an argument."
832fi
833
834# Selected test groups.
835if test -z "$at_groups"; then
836 at_groups=$at_groups_all
837else
838 # Sort the tests, removing duplicates.
839 at_groups=`$as_echo "$at_groups" | tr ' ' "$as_nl" | sort -nu`
840fi
841
842# Help message.
843if $at_help_p; then
844 cat <<_ATEOF || at_write_fail=1
845Usage: $0 [OPTION]... [VARIABLE=VALUE]... [TESTS]
846
847Run all the tests, or the selected TESTS, given by numeric ranges, and
848save a detailed log file. Upon failure, create debugging scripts.
849
850Do not change environment variables directly. Instead, set them via
851command line arguments. Set \`AUTOTEST_PATH' to select the executables
852to exercise. Each relative directory is expanded as build and source
853directories relative to the top level of this distribution.
854E.g., from within the build directory /tmp/foo-1.0, invoking this:
855
856 $ $0 AUTOTEST_PATH=bin
857
858is equivalent to the following, assuming the source directory is /src/foo-1.0:
859
860 PATH=/tmp/foo-1.0/bin:/src/foo-1.0/bin:\$PATH $0
861_ATEOF
862cat <<_ATEOF || at_write_fail=1
863
864Operation modes:
865 -h, --help print the help message, then exit
866 -V, --version print version number, then exit
867 -c, --clean remove all the files this test suite might create and exit
868 -l, --list describes all the tests, or the selected TESTS
869_ATEOF
870cat <<_ATEOF || at_write_fail=1
871
872Execution tuning:
873 -C, --directory=DIR
874 change to directory DIR before starting
875 -j, --jobs[=N]
876 Allow N jobs at once; infinite jobs with no arg (default 1)
877 -k, --keywords=KEYWORDS
878 select the tests matching all the comma-separated KEYWORDS
879 multiple \`-k' accumulate; prefixed \`!' negates a KEYWORD
880 -e, --errexit abort as soon as a test fails; implies --debug
881 -v, --verbose force more detailed output
882 default for debugging scripts
883 -d, --debug inhibit clean up and top-level logging
884 default for debugging scripts
885 -x, --trace enable tests shell tracing
886_ATEOF
887cat <<_ATEOF || at_write_fail=1
888
889Report bugs to <heber@ins.uni-bonn.de>.
890_ATEOF
891 exit $at_write_fail
892fi
893
894# List of tests.
895if $at_list_p; then
896 cat <<_ATEOF || at_write_fail=1
897Molecuilder 1.0 test suite: Molecular Builder test groups:
898
899 NUM: FILE-NAME:LINE TEST-GROUP-NAME
900 KEYWORDS
901
902_ATEOF
903 # Passing at_groups is tricky. We cannot use it to form a literal string
904 # or regexp because of the limitation of AIX awk. And Solaris' awk
905 # doesn't grok more than 99 fields in a record, so we have to use `split'.
906 # at_groups needs to be space-separated for this script to work.
907 case $at_groups in
908 *"$as_nl"* )
909 at_groups=`$as_echo "$at_groups" | tr "$as_nl" ' '` ;;
910 esac
911 $as_echo "$at_groups$as_nl$at_help_all" |
912 awk 'BEGIN { FS = ";" }
913 NR == 1 {
914 for (n = split ($ 0, a, " "); n; n--)
915 selected[a[n]] = 1
916 next
917 }
918 NF > 0 {
919 if (selected[$ 1]) {
920 printf " %3d: %-18s %s\n", $ 1, $ 2, $ 3
921 if ($ 4) {
922 lmax = 79
923 indent = " "
924 line = indent
925 len = length (line)
926 n = split ($ 4, a, " ")
927 for (i = 1; i <= n; i++) {
928 l = length (a[i]) + 1
929 if (i > 1 && len + l > lmax) {
930 print line
931 line = indent " " a[i]
932 len = length (line)
933 } else {
934 line = line " " a[i]
935 len += l
936 }
937 }
938 if (n)
939 print line
940 }
941 }
942 }' || at_write_fail=1
943 exit $at_write_fail
944fi
945if $at_version_p; then
946 $as_echo "$as_me (Molecuilder 1.0)" &&
947 cat <<\_ATEOF || at_write_fail=1
948
949Copyright (C) 2009 Free Software Foundation, Inc.
950This test suite is free software; the Free Software Foundation gives
951unlimited permission to copy, distribute and modify it.
952_ATEOF
953 exit $at_write_fail
954fi
955
956# Should we print banners? at_groups is space-separated for entire test,
957# newline-separated if only a subset of the testsuite is run.
958case $at_groups in
959 *' '*' '* | *"$as_nl"*"$as_nl"* )
960 at_print_banners=: ;;
961 * ) at_print_banners=false ;;
962esac
963# Text for banner N, set to empty once printed.
964# Banner 1. testsuite-standard_options.at:1
965# Category starts at test group 1.
966at_banner_text_1="MoleCuilder - standard options"
967# Banner 2. testsuite-specifics.at:1
968# Category starts at test group 8.
969at_banner_text_2="MoleCuilder - Specifics"
970# Banner 3. testsuite-simple_configuration.at:1
971# Category starts at test group 9.
972at_banner_text_3="MoleCuilder - molecular config creation from xyz file and atom adding"
973# Banner 4. testsuite-domain.at:1
974# Category starts at test group 17.
975at_banner_text_4="MoleCuilder - simulation domain"
976# Banner 5. testsuite-graph.at:1
977# Category starts at test group 23.
978at_banner_text_5="MoleCuilder - Graph routines test"
979# Banner 6. testsuite-molecules.at:1
980# Category starts at test group 25.
981at_banner_text_6="MoleCuilder - Molecules"
982# Banner 7. testsuite-fragmentation.at:1
983# Category starts at test group 33.
984at_banner_text_7="MoleCuilder - Fragmentation and Re-fragmentation test"
985# Banner 8. testsuite-tesselation.at:1
986# Category starts at test group 36.
987at_banner_text_8="MoleCuilder - Tesselation test"
988# Banner 9. testsuite-filling.at:1
989# Category starts at test group 39.
990at_banner_text_9="MoleCuilder - Filling in molecules"
991# Banner 10. testsuite-analysis.at:1
992# Category starts at test group 41.
993at_banner_text_10="MoleCuilder - Analysis"
994
995# Take any -C into account.
996if $at_change_dir ; then
997 if test x- = "x$at_dir" ; then
998 at_dir=./-
999 fi
1000 test x != "x$at_dir" && cd "$at_dir" \
1001 || as_fn_error "unable to change directory"
1002 at_dir=`pwd`
1003fi
1004
1005# Load the config files for any default variable assignments.
1006for at_file in atconfig atlocal
1007do
1008 test -r $at_file || continue
1009 . ./$at_file || as_fn_error "invalid content: $at_file"
1010done
1011
1012# Autoconf <=2.59b set at_top_builddir instead of at_top_build_prefix:
1013: ${at_top_build_prefix=$at_top_builddir}
1014
1015# Perform any assignments requested during argument parsing.
1016eval "$at_debug_args"
1017
1018# atconfig delivers names relative to the directory the test suite is
1019# in, but the groups themselves are run in testsuite-dir/group-dir.
1020if test -n "$at_top_srcdir"; then
1021 builddir=../..
1022 for at_dir_var in srcdir top_srcdir top_build_prefix
1023 do
1024 eval at_val=\$at_$at_dir_var
1025 case $at_val in
1026 [\\/$]* | ?:[\\/]* ) at_prefix= ;;
1027 *) at_prefix=../../ ;;
1028 esac
1029 eval "$at_dir_var=\$at_prefix\$at_val"
1030 done
1031fi
1032
1033## -------------------- ##
1034## Directory structure. ##
1035## -------------------- ##
1036
1037# This is the set of directories and files used by this script
1038# (non-literals are capitalized):
1039#
1040# TESTSUITE - the testsuite
1041# TESTSUITE.log - summarizes the complete testsuite run
1042# TESTSUITE.dir/ - created during a run, remains after -d or failed test
1043# + at-groups/ - during a run: status of all groups in run
1044# | + NNN/ - during a run: meta-data about test group NNN
1045# | | + check-line - location (source file and line) of current AT_CHECK
1046# | | + status - exit status of current AT_CHECK
1047# | | + stdout - stdout of current AT_CHECK
1048# | | + stder1 - stderr, including trace
1049# | | + stderr - stderr, with trace filtered out
1050# | | + test-source - portion of testsuite that defines group
1051# | | + times - timestamps for computing duration
1052# | | + pass - created if group passed
1053# | | + xpass - created if group xpassed
1054# | | + fail - created if group failed
1055# | | + xfail - created if group xfailed
1056# | | + skip - created if group skipped
1057# + at-stop - during a run: end the run if this file exists
1058# + at-source-lines - during a run: cache of TESTSUITE line numbers for extraction
1059# + 0..NNN/ - created for each group NNN, remains after -d or failed test
1060# | + TESTSUITE.log - summarizes the group results
1061# | + ... - files created during the group
1062
1063# The directory the whole suite works in.
1064# Should be absolute to let the user `cd' at will.
1065at_suite_dir=$at_dir/$as_me.dir
1066# The file containing the suite.
1067at_suite_log=$at_dir/$as_me.log
1068# The directory containing helper files per test group.
1069at_helper_dir=$at_suite_dir/at-groups
1070# Stop file: if it exists, do not start new jobs.
1071at_stop_file=$at_suite_dir/at-stop
1072# The fifo used for the job dispatcher.
1073at_job_fifo=$at_suite_dir/at-job-fifo
1074
1075if $at_clean; then
1076 test -d "$at_suite_dir" &&
1077 find "$at_suite_dir" -type d ! -perm -700 -exec chmod u+rwx \{\} \;
1078 rm -f -r "$at_suite_dir" "$at_suite_log"
1079 exit $?
1080fi
1081
1082# Don't take risks: use only absolute directories in PATH.
1083#
1084# For stand-alone test suites (ie. atconfig was not found),
1085# AUTOTEST_PATH is relative to `.'.
1086#
1087# For embedded test suites, AUTOTEST_PATH is relative to the top level
1088# of the package. Then expand it into build/src parts, since users
1089# may create executables in both places.
1090AUTOTEST_PATH=`$as_echo "$AUTOTEST_PATH" | sed "s|:|$PATH_SEPARATOR|g"`
1091at_path=
1092as_save_IFS=$IFS; IFS=$PATH_SEPARATOR
1093for as_dir in $AUTOTEST_PATH $PATH
1094do
1095 IFS=$as_save_IFS
1096 test -z "$as_dir" && as_dir=.
1097 test -n "$at_path" && as_fn_append at_path $PATH_SEPARATOR
1098case $as_dir in
1099 [\\/]* | ?:[\\/]* )
1100 as_fn_append at_path "$as_dir"
1101 ;;
1102 * )
1103 if test -z "$at_top_build_prefix"; then
1104 # Stand-alone test suite.
1105 as_fn_append at_path "$as_dir"
1106 else
1107 # Embedded test suite.
1108 as_fn_append at_path "$at_top_build_prefix$as_dir$PATH_SEPARATOR"
1109 as_fn_append at_path "$at_top_srcdir/$as_dir"
1110 fi
1111 ;;
1112esac
1113 done
1114IFS=$as_save_IFS
1115
1116
1117# Now build and simplify PATH.
1118#
1119# There might be directories that don't exist, but don't redirect
1120# builtins' (eg., cd) stderr directly: Ultrix's sh hates that.
1121at_new_path=
1122as_save_IFS=$IFS; IFS=$PATH_SEPARATOR
1123for as_dir in $at_path
1124do
1125 IFS=$as_save_IFS
1126 test -z "$as_dir" && as_dir=.
1127 test -d "$as_dir" || continue
1128case $as_dir in
1129 [\\/]* | ?:[\\/]* ) ;;
1130 * ) as_dir=`(cd "$as_dir" && pwd) 2>/dev/null` ;;
1131esac
1132case $PATH_SEPARATOR$at_new_path$PATH_SEPARATOR in
1133 *$PATH_SEPARATOR$as_dir$PATH_SEPARATOR*) ;;
1134 $PATH_SEPARATOR$PATH_SEPARATOR) at_new_path=$as_dir ;;
1135 *) as_fn_append at_new_path "$PATH_SEPARATOR$as_dir" ;;
1136esac
1137 done
1138IFS=$as_save_IFS
1139
1140PATH=$at_new_path
1141export PATH
1142
1143# Setting up the FDs.
1144
1145
1146# 5 is the log file. Not to be overwritten if `-d'.
1147if $at_debug_p; then
1148 at_suite_log=/dev/null
1149else
1150 : >"$at_suite_log"
1151fi
1152exec 5>>"$at_suite_log"
1153
1154# Banners and logs.
1155cat <<\_ASBOX
1156## ---------------------------------------------- ##
1157## Molecuilder 1.0 test suite: Molecular Builder. ##
1158## ---------------------------------------------- ##
1159_ASBOX
1160{
1161 cat <<\_ASBOX
1162## ---------------------------------------------- ##
1163## Molecuilder 1.0 test suite: Molecular Builder. ##
1164## ---------------------------------------------- ##
1165_ASBOX
1166 echo
1167
1168 $as_echo "$as_me: command line was:"
1169 $as_echo " \$ $0 $at_cli_args"
1170 echo
1171
1172 # Try to find a few ChangeLogs in case it might help determining the
1173 # exact version. Use the relative dir: if the top dir is a symlink,
1174 # find will not follow it (and options to follow the links are not
1175 # portable), which would result in no output here. Prune directories
1176 # matching the package tarname, since they tend to be leftovers from
1177 # `make dist' or `make distcheck' and contain redundant or stale logs.
1178 if test -n "$at_top_srcdir"; then
1179 cat <<\_ASBOX
1180## ----------- ##
1181## ChangeLogs. ##
1182## ----------- ##
1183_ASBOX
1184 echo
1185 for at_file in `find "$at_top_srcdir" -name "molecuilder-*" -prune -o -name ChangeLog -print`
1186 do
1187 $as_echo "$as_me: $at_file:"
1188 sed 's/^/| /;10q' $at_file
1189 echo
1190 done
1191
1192 fi
1193
1194 {
1195cat <<_ASUNAME
1196## --------- ##
1197## Platform. ##
1198## --------- ##
1199
1200hostname = `(hostname || uname -n) 2>/dev/null | sed 1q`
1201uname -m = `(uname -m) 2>/dev/null || echo unknown`
1202uname -r = `(uname -r) 2>/dev/null || echo unknown`
1203uname -s = `(uname -s) 2>/dev/null || echo unknown`
1204uname -v = `(uname -v) 2>/dev/null || echo unknown`
1205
1206/usr/bin/uname -p = `(/usr/bin/uname -p) 2>/dev/null || echo unknown`
1207/bin/uname -X = `(/bin/uname -X) 2>/dev/null || echo unknown`
1208
1209/bin/arch = `(/bin/arch) 2>/dev/null || echo unknown`
1210/usr/bin/arch -k = `(/usr/bin/arch -k) 2>/dev/null || echo unknown`
1211/usr/convex/getsysinfo = `(/usr/convex/getsysinfo) 2>/dev/null || echo unknown`
1212/usr/bin/hostinfo = `(/usr/bin/hostinfo) 2>/dev/null || echo unknown`
1213/bin/machine = `(/bin/machine) 2>/dev/null || echo unknown`
1214/usr/bin/oslevel = `(/usr/bin/oslevel) 2>/dev/null || echo unknown`
1215/bin/universe = `(/bin/universe) 2>/dev/null || echo unknown`
1216
1217_ASUNAME
1218
1219as_save_IFS=$IFS; IFS=$PATH_SEPARATOR
1220for as_dir in $PATH
1221do
1222 IFS=$as_save_IFS
1223 test -z "$as_dir" && as_dir=.
1224 $as_echo "PATH: $as_dir"
1225 done
1226IFS=$as_save_IFS
1227
1228}
1229 echo
1230
1231 # Contents of the config files.
1232 for at_file in atconfig atlocal
1233 do
1234 test -r $at_file || continue
1235 $as_echo "$as_me: $at_file:"
1236 sed 's/^/| /' $at_file
1237 echo
1238 done
1239} >&5
1240
1241
1242## ------------------------- ##
1243## Autotest shell functions. ##
1244## ------------------------- ##
1245
1246# at_fn_banner NUMBER
1247# -------------------
1248# Output banner NUMBER, provided the testsuite is running multiple groups and
1249# this particular banner has not yet been printed.
1250at_fn_banner ()
1251{
1252 $at_print_banners || return 0
1253 eval at_banner_text=\$at_banner_text_$1
1254 test "x$at_banner_text" = x && return 0
1255 eval at_banner_text_$1=
1256 $as_echo "$as_nl$at_banner_text$as_nl"
1257} # at_fn_banner
1258
1259# at_fn_check_prepare_notrace REASON LINE
1260# ---------------------------------------
1261# Perform AT_CHECK preparations for the command at LINE for an untraceable
1262# command; REASON is the reason for disabling tracing.
1263at_fn_check_prepare_notrace ()
1264{
1265 $at_trace_echo "Not enabling shell tracing (command contains $1)"
1266 $as_echo "$2" >"$at_check_line_file"
1267 at_check_trace=: at_check_filter=:
1268 : >"$at_stdout"; : >"$at_stderr"
1269}
1270
1271# at_fn_check_prepare_trace LINE
1272# ------------------------------
1273# Perform AT_CHECK preparations for the command at LINE for a traceable
1274# command.
1275at_fn_check_prepare_trace ()
1276{
1277 $as_echo "$1" >"$at_check_line_file"
1278 at_check_trace=$at_traceon at_check_filter=$at_check_filter_trace
1279 : >"$at_stdout"; : >"$at_stderr"
1280}
1281
1282# at_fn_check_prepare_dynamic COMMAND LINE
1283# ----------------------------------------
1284# Decide if COMMAND at LINE is traceable at runtime, and call the appropriate
1285# preparation function.
1286at_fn_check_prepare_dynamic ()
1287{
1288 case $1 in
1289 *$as_nl*)
1290 at_fn_check_prepare_notrace 'an embedded newline' "$2" ;;
1291 *)
1292 at_fn_check_prepare_trace "$2" ;;
1293 esac
1294}
1295
1296# at_fn_filter_trace
1297# ------------------
1298# Remove the lines in the file "$at_stderr" generated by "set -x" and print
1299# them to stderr.
1300at_fn_filter_trace ()
1301{
1302 mv "$at_stderr" "$at_stder1"
1303 grep '^ *+' "$at_stder1" >&2
1304 grep -v '^ *+' "$at_stder1" >"$at_stderr"
1305}
1306
1307# at_fn_log_failure FILE-LIST
1308# ---------------------------
1309# Copy the files in the list on stdout with a "> " prefix, and exit the shell
1310# with a failure exit code.
1311at_fn_log_failure ()
1312{
1313 for file
1314 do $as_echo "$file:"; sed 's/^/> /' "$file"; done
1315 echo 1 > "$at_status_file"
1316 exit 1
1317}
1318
1319# at_fn_check_skip EXIT-CODE LINE
1320# -------------------------------
1321# Check whether EXIT-CODE is a special exit code (77 or 99), and if so exit
1322# the test group subshell with that same exit code. Use LINE in any report
1323# about test failure.
1324at_fn_check_skip ()
1325{
1326 case $1 in
1327 99) echo 99 > "$at_status_file"; at_failed=:
1328 $as_echo "$2: hard failure"; exit 99;;
1329 77) echo 77 > "$at_status_file"; exit 77;;
1330 esac
1331}
1332
1333# at_fn_check_status EXPECTED EXIT-CODE LINE
1334# ------------------------------------------
1335# Check whether EXIT-CODE is the EXPECTED exit code, and if so do nothing.
1336# Otherwise, if it is 77 or 99, exit the test group subshell with that same
1337# exit code; if it is anything else print an error message referring to LINE,
1338# and fail the test.
1339at_fn_check_status ()
1340{
1341 case $2 in
1342 $1 ) ;;
1343 77) echo 77 > "$at_status_file"; exit 77;;
1344 99) echo 99 > "$at_status_file"; at_failed=:
1345 $as_echo "$3: hard failure"; exit 99;;
1346 *) $as_echo "$3: exit code was $2, expected $1"
1347 at_failed=:;;
1348 esac
1349}
1350
1351# at_fn_diff_devnull FILE
1352# -----------------------
1353# Emit a diff between /dev/null and FILE. Uses "test -s" to avoid useless diff
1354# invocations.
1355at_fn_diff_devnull ()
1356{
1357 test -s "$1" || return 0
1358 $at_diff "$at_devnull" "$1"
1359}
1360
1361# at_fn_test NUMBER
1362# -----------------
1363# Parse out test NUMBER from the tail of this file.
1364at_fn_test ()
1365{
1366 eval at_sed=\$at_sed$1
1367 sed "$at_sed" "$at_myself" > "$at_test_source"
1368}
1369
1370# at_fn_create_debugging_script
1371# -----------------------------
1372# Create the debugging script $at_group_dir/run which will reproduce the
1373# current test group.
1374at_fn_create_debugging_script ()
1375{
1376 {
1377 echo "#! /bin/sh" &&
1378 echo 'test "${ZSH_VERSION+set}" = set && alias -g '\''${1+"$@"}'\''='\''"$@"'\''' &&
1379 $as_echo "cd '$at_dir'" &&
1380 $as_echo "exec \${CONFIG_SHELL-$SHELL} \"$at_myself\" -v -d $at_debug_args $at_group \${1+\"\$@\"}" &&
1381 echo 'exit 1'
1382 } >"$at_group_dir/run" &&
1383 chmod +x "$at_group_dir/run"
1384}
1385
1386## -------------------------------- ##
1387## End of autotest shell functions. ##
1388## -------------------------------- ##
1389{
1390 cat <<\_ASBOX
1391## ---------------- ##
1392## Tested programs. ##
1393## ---------------- ##
1394_ASBOX
1395 echo
1396} >&5
1397
1398# Report what programs are being tested.
1399for at_program in : $at_tested
1400do
1401 test "$at_program" = : && continue
1402 case $at_program in
1403 [\\/]* | ?:[\\/]* ) $at_program_=$at_program ;;
1404 * )
1405 as_save_IFS=$IFS; IFS=$PATH_SEPARATOR
1406for as_dir in $PATH
1407do
1408 IFS=$as_save_IFS
1409 test -z "$as_dir" && as_dir=.
1410 test -f "$as_dir/$at_program" && break
1411 done
1412IFS=$as_save_IFS
1413
1414 at_program_=$as_dir/$at_program ;;
1415 esac
1416 if test -f "$at_program_"; then
1417 {
1418 $as_echo "$at_srcdir/testsuite.at:6: $at_program_ --version"
1419 "$at_program_" --version </dev/null
1420 echo
1421 } >&5 2>&1
1422 else
1423 as_fn_error "cannot find $at_program" "$LINENO" 5
1424 fi
1425done
1426
1427{
1428 cat <<\_ASBOX
1429## ------------------ ##
1430## Running the tests. ##
1431## ------------------ ##
1432_ASBOX
1433} >&5
1434
1435at_start_date=`date`
1436at_start_time=`date +%s 2>/dev/null`
1437$as_echo "$as_me: starting at: $at_start_date" >&5
1438
1439# Create the master directory if it doesn't already exist.
1440as_dir="$at_suite_dir"; as_fn_mkdir_p ||
1441 as_fn_error "cannot create \`$at_suite_dir'" "$LINENO" 5
1442
1443# Can we diff with `/dev/null'? DU 5.0 refuses.
1444if diff /dev/null /dev/null >/dev/null 2>&1; then
1445 at_devnull=/dev/null
1446else
1447 at_devnull=$at_suite_dir/devnull
1448 >"$at_devnull"
1449fi
1450
1451# Use `diff -u' when possible.
1452if at_diff=`diff -u "$at_devnull" "$at_devnull" 2>&1` && test -z "$at_diff"
1453then
1454 at_diff='diff -u'
1455else
1456 at_diff=diff
1457fi
1458
1459# Get the last needed group.
1460for at_group in : $at_groups; do :; done
1461
1462# Extract the start and end lines of each test group at the tail
1463# of this file
1464awk '
1465BEGIN { FS="" }
1466/^#AT_START_/ {
1467 start = NR
1468}
1469/^#AT_STOP_/ {
1470 test = substr ($ 0, 10)
1471 print "at_sed" test "=\"1," start "d;" (NR-1) "q\""
1472 if (test == "'"$at_group"'") exit
1473}' "$at_myself" > "$at_suite_dir/at-source-lines" &&
1474. "$at_suite_dir/at-source-lines" ||
1475 as_fn_error "cannot create test line number cache" "$LINENO" 5
1476rm -f "$at_suite_dir/at-source-lines"
1477
1478# Set number of jobs for `-j'; avoid more jobs than test groups.
1479set X $at_groups; shift; at_max_jobs=$#
1480if test $at_max_jobs -eq 0; then
1481 at_jobs=1
1482fi
1483if test $at_jobs -ne 1 &&
1484 { test $at_jobs -eq 0 || test $at_jobs -gt $at_max_jobs; }; then
1485 at_jobs=$at_max_jobs
1486fi
1487
1488# If parallel mode, don't output banners, don't split summary lines.
1489if test $at_jobs -ne 1; then
1490 at_print_banners=false
1491 at_quiet=:
1492fi
1493
1494# Set up helper dirs.
1495rm -rf "$at_helper_dir" &&
1496mkdir "$at_helper_dir" &&
1497cd "$at_helper_dir" &&
1498{ test -z "$at_groups" || mkdir $at_groups; } ||
1499as_fn_error "testsuite directory setup failed" "$LINENO" 5
1500
1501# Functions for running a test group. We leave the actual
1502# test group execution outside of a shell function in order
1503# to avoid hitting zsh 4.x exit status bugs.
1504
1505# at_fn_group_prepare
1506# -------------------
1507# Prepare running a test group.
1508at_fn_group_prepare ()
1509{
1510 # The directory for additional per-group helper files.
1511 at_job_dir=$at_helper_dir/$at_group
1512 # The file containing the location of the last AT_CHECK.
1513 at_check_line_file=$at_job_dir/check-line
1514 # The file containing the exit status of the last command.
1515 at_status_file=$at_job_dir/status
1516 # The files containing the output of the tested commands.
1517 at_stdout=$at_job_dir/stdout
1518 at_stder1=$at_job_dir/stder1
1519 at_stderr=$at_job_dir/stderr
1520 # The file containing the code for a test group.
1521 at_test_source=$at_job_dir/test-source
1522 # The file containing dates.
1523 at_times_file=$at_job_dir/times
1524
1525 # Be sure to come back to the top test directory.
1526 cd "$at_suite_dir"
1527
1528 # Clearly separate the test groups when verbose.
1529 $at_first || $at_verbose echo
1530
1531 at_group_normalized=$at_group
1532
1533 eval 'while :; do
1534 case $at_group_normalized in #(
1535 '"$at_format"'*) break;;
1536 esac
1537 at_group_normalized=0$at_group_normalized
1538 done'
1539
1540
1541 # Create a fresh directory for the next test group, and enter.
1542 # If one already exists, the user may have invoked ./run from
1543 # within that directory; we remove the contents, but not the
1544 # directory itself, so that we aren't pulling the rug out from
1545 # under the shell's notion of the current directory.
1546 at_group_dir=$at_suite_dir/$at_group_normalized
1547 at_group_log=$at_group_dir/$as_me.log
1548 if test -d "$at_group_dir"; then
1549 find "$at_group_dir" -type d ! -perm -700 -exec chmod u+rwx {} \;
1550 rm -fr "$at_group_dir"/* "$at_group_dir"/.[!.] "$at_group_dir"/.??*
1551fi ||
1552 { $as_echo "$as_me:${as_lineno-$LINENO}: WARNING: test directory for $at_group_normalized could not be cleaned." >&5
1553$as_echo "$as_me: WARNING: test directory for $at_group_normalized could not be cleaned." >&2;}
1554 # Be tolerant if the above `rm' was not able to remove the directory.
1555 as_dir="$at_group_dir"; as_fn_mkdir_p
1556
1557 echo 0 > "$at_status_file"
1558
1559 # In verbose mode, append to the log file *and* show on
1560 # the standard output; in quiet mode only write to the log.
1561 if test -z "$at_verbose"; then
1562 at_tee_pipe='tee -a "$at_group_log"'
1563 else
1564 at_tee_pipe='cat >> "$at_group_log"'
1565 fi
1566}
1567
1568# at_fn_group_postprocess
1569# -----------------------
1570# Perform cleanup after running a test group.
1571at_fn_group_postprocess ()
1572{
1573 # Be sure to come back to the suite directory, in particular
1574 # since below we might `rm' the group directory we are in currently.
1575 cd "$at_suite_dir"
1576
1577 if test ! -f "$at_check_line_file"; then
1578 sed "s/^ */$as_me: WARNING: /" <<_ATEOF
1579 A failure happened in a test group before any test could be
1580 run. This means that test suite is improperly designed. Please
1581 report this failure to <heber@ins.uni-bonn.de>.
1582_ATEOF
1583 $as_echo "$at_setup_line" >"$at_check_line_file"
1584 at_status=99
1585 fi
1586 $at_verbose $as_echo_n "$at_group. $at_setup_line: "
1587 $as_echo_n "$at_group. $at_setup_line: " >> "$at_group_log"
1588 case $at_xfail:$at_status in
1589 *:99)
1590 at_msg='FAILED ('`cat "$at_check_line_file"`')'
1591 at_res=fail
1592 at_errexit=$at_errexit_p
1593 ;;
1594 yes:0)
1595 at_msg="UNEXPECTED PASS"
1596 at_res=xpass
1597 at_errexit=$at_errexit_p
1598 ;;
1599 no:0)
1600 at_msg="ok"
1601 at_res=pass
1602 at_errexit=false
1603 ;;
1604 *:77)
1605 at_msg='skipped ('`cat "$at_check_line_file"`')'
1606 at_res=skip
1607 at_errexit=false
1608 ;;
1609 yes:*)
1610 at_msg='expected failure ('`cat "$at_check_line_file"`')'
1611 at_res=xfail
1612 at_errexit=false
1613 ;;
1614 no:*)
1615 at_msg='FAILED ('`cat "$at_check_line_file"`')'
1616 at_res=fail
1617 at_errexit=$at_errexit_p
1618 ;;
1619 esac
1620 echo "$at_res" > "$at_job_dir/$at_res"
1621 # In parallel mode, output the summary line only afterwards.
1622 if test $at_jobs -ne 1 && test -n "$at_verbose"; then
1623 $as_echo "$at_desc_line $at_msg"
1624 else
1625 # Make sure there is a separator even with long titles.
1626 $as_echo " $at_msg"
1627 fi
1628 at_log_msg="$at_group. $at_desc ($at_setup_line): $at_msg"
1629 case $at_status in
1630 0|77)
1631 # $at_times_file is only available if the group succeeded.
1632 # We're not including the group log, so the success message
1633 # is written in the global log separately. But we also
1634 # write to the group log in case they're using -d.
1635 if test -f "$at_times_file"; then
1636 at_log_msg="$at_log_msg ("`sed 1d "$at_times_file"`')'
1637 rm -f "$at_times_file"
1638 fi
1639 $as_echo "$at_log_msg" >> "$at_group_log"
1640 $as_echo "$at_log_msg" >&5
1641
1642 # Cleanup the group directory, unless the user wants the files.
1643 if $at_debug_p; then
1644 at_fn_create_debugging_script
1645 else
1646 if test -d "$at_group_dir"; then
1647 find "$at_group_dir" -type d ! -perm -700 -exec chmod u+rwx \{\} \;
1648 rm -fr "$at_group_dir"
1649 fi
1650 rm -f "$at_test_source"
1651 fi
1652 ;;
1653 *)
1654 # Upon failure, include the log into the testsuite's global
1655 # log. The failure message is written in the group log. It
1656 # is later included in the global log.
1657 $as_echo "$at_log_msg" >> "$at_group_log"
1658
1659 # Upon failure, keep the group directory for autopsy, and create
1660 # the debugging script. With -e, do not start any further tests.
1661 at_fn_create_debugging_script
1662 if $at_errexit; then
1663 echo stop > "$at_stop_file"
1664 fi
1665 ;;
1666 esac
1667}
1668
1669
1670## ------------ ##
1671## Driver loop. ##
1672## ------------ ##
1673
1674
1675if (set -m && set +m && set +b) >/dev/null 2>&1; then
1676 set +b
1677 at_job_control_on='set -m' at_job_control_off='set +m' at_job_group=-
1678else
1679 at_job_control_on=: at_job_control_off=: at_job_group=
1680fi
1681
1682for at_signal in 1 2 15; do
1683 trap 'set +x; set +e
1684 $at_job_control_off
1685 at_signal='"$at_signal"'
1686 echo stop > "$at_stop_file"
1687 trap "" $at_signal
1688 at_pgids=
1689 for at_pgid in `jobs -p 2>/dev/null`; do
1690 at_pgids="$at_pgids $at_job_group$at_pgid"
1691 done
1692 test -z "$at_pgids" || kill -$at_signal $at_pgids 2>/dev/null
1693 wait
1694 if test "$at_jobs" -eq 1 || test -z "$at_verbose"; then
1695 echo >&2
1696 fi
1697 at_signame=`kill -l $at_signal 2>&1 || echo $at_signal`
1698 set x $at_signame
1699 test 1 -gt 2 && at_signame=$at_signal
1700 { $as_echo "$as_me:${as_lineno-$LINENO}: WARNING: caught signal $at_signame, bailing out" >&5
1701$as_echo "$as_me: WARNING: caught signal $at_signame, bailing out" >&2;}
1702 as_fn_arith 128 + $at_signal && exit_status=$as_val
1703 as_fn_exit $exit_status' $at_signal
1704done
1705
1706rm -f "$at_stop_file"
1707at_first=:
1708
1709if test $at_jobs -ne 1 &&
1710 rm -f "$at_job_fifo" &&
1711 test -n "$at_job_group" &&
1712 ( mkfifo "$at_job_fifo" && trap 'exit 1' PIPE STOP TSTP ) 2>/dev/null
1713then
1714 # FIFO job dispatcher.
1715
1716 trap 'at_pids=
1717 for at_pid in `jobs -p`; do
1718 at_pids="$at_pids $at_job_group$at_pid"
1719 done
1720 if test -n "$at_pids"; then
1721 at_sig=TSTP
1722 test "${TMOUT+set}" = set && at_sig=STOP
1723 kill -$at_sig $at_pids 2>/dev/null
1724 fi
1725 kill -STOP $$
1726 test -z "$at_pids" || kill -CONT $at_pids 2>/dev/null' TSTP
1727
1728 echo
1729 # Turn jobs into a list of numbers, starting from 1.
1730 at_joblist=`$as_echo " $at_groups_all " | \
1731 sed 's/\( '$at_jobs'\) .*/\1/'`
1732
1733 set X $at_joblist
1734 shift
1735 for at_group in $at_groups; do
1736 $at_job_control_on 2>/dev/null
1737 (
1738 # Start one test group.
1739 $at_job_control_off
1740 exec 6>"$at_job_fifo"
1741 trap 'set +x; set +e
1742 trap "" PIPE
1743 echo stop > "$at_stop_file"
1744 echo token >&6
1745 as_fn_exit 141' PIPE
1746 at_fn_group_prepare
1747 if cd "$at_group_dir" &&
1748 at_fn_test $at_group &&
1749 . "$at_test_source" # AT_JOB_FIFO_FD>&-
1750 then :; else
1751 { $as_echo "$as_me:${as_lineno-$LINENO}: WARNING: unable to parse test group: $at_group" >&5
1752$as_echo "$as_me: WARNING: unable to parse test group: $at_group" >&2;}
1753 at_failed=:
1754 fi
1755 at_fn_group_postprocess
1756 echo token >&6
1757 ) &
1758 $at_job_control_off
1759 if $at_first; then
1760 at_first=false
1761 exec 6<"$at_job_fifo"
1762 fi
1763 shift # Consume one token.
1764 if test $# -gt 0; then :; else
1765 read at_token <&6 || break
1766 set x $*
1767 fi
1768 test -f "$at_stop_file" && break
1769 done
1770 # Read back the remaining ($at_jobs - 1) tokens.
1771 set X $at_joblist
1772 shift
1773 if test $# -gt 0; then
1774 shift
1775 for at_job
1776 do
1777 read at_token
1778 done <&6
1779 fi
1780 exec 6<&-
1781 wait
1782else
1783 # Run serially, avoid forks and other potential surprises.
1784 for at_group in $at_groups; do
1785 at_fn_group_prepare
1786 if cd "$at_group_dir" &&
1787 at_fn_test $at_group &&
1788 . "$at_test_source"; then :; else
1789 { $as_echo "$as_me:${as_lineno-$LINENO}: WARNING: unable to parse test group: $at_group" >&5
1790$as_echo "$as_me: WARNING: unable to parse test group: $at_group" >&2;}
1791 at_failed=:
1792 fi
1793 at_fn_group_postprocess
1794 test -f "$at_stop_file" && break
1795 at_first=false
1796 done
1797fi
1798
1799# Wrap up the test suite with summary statistics.
1800cd "$at_helper_dir"
1801
1802# Use ?..???? when the list must remain sorted, the faster * otherwise.
1803at_pass_list=`for f in */pass; do echo $f; done | sed '/\*/d; s,/pass,,'`
1804at_skip_list=`for f in */skip; do echo $f; done | sed '/\*/d; s,/skip,,'`
1805at_xfail_list=`for f in */xfail; do echo $f; done | sed '/\*/d; s,/xfail,,'`
1806at_xpass_list=`for f in ?/xpass ??/xpass ???/xpass ????/xpass; do
1807 echo $f; done | sed '/?/d; s,/xpass,,'`
1808at_fail_list=`for f in ?/fail ??/fail ???/fail ????/fail; do
1809 echo $f; done | sed '/?/d; s,/fail,,'`
1810
1811set X $at_pass_list $at_xpass_list $at_xfail_list $at_fail_list $at_skip_list
1812shift; at_group_count=$#
1813set X $at_xpass_list; shift; at_xpass_count=$#; at_xpass_list=$*
1814set X $at_xfail_list; shift; at_xfail_count=$#
1815set X $at_fail_list; shift; at_fail_count=$#; at_fail_list=$*
1816set X $at_skip_list; shift; at_skip_count=$#
1817
1818as_fn_arith $at_group_count - $at_skip_count && at_run_count=$as_val
1819as_fn_arith $at_xpass_count + $at_fail_count && at_unexpected_count=$as_val
1820as_fn_arith $at_xfail_count + $at_fail_count && at_total_fail_count=$as_val
1821
1822# Back to the top directory.
1823cd "$at_dir"
1824rm -rf "$at_helper_dir"
1825
1826# Compute the duration of the suite.
1827at_stop_date=`date`
1828at_stop_time=`date +%s 2>/dev/null`
1829$as_echo "$as_me: ending at: $at_stop_date" >&5
1830case $at_start_time,$at_stop_time in
1831 [0-9]*,[0-9]*)
1832 as_fn_arith $at_stop_time - $at_start_time && at_duration_s=$as_val
1833 as_fn_arith $at_duration_s / 60 && at_duration_m=$as_val
1834 as_fn_arith $at_duration_m / 60 && at_duration_h=$as_val
1835 as_fn_arith $at_duration_s % 60 && at_duration_s=$as_val
1836 as_fn_arith $at_duration_m % 60 && at_duration_m=$as_val
1837 at_duration="${at_duration_h}h ${at_duration_m}m ${at_duration_s}s"
1838 $as_echo "$as_me: test suite duration: $at_duration" >&5
1839 ;;
1840esac
1841
1842echo
1843cat <<\_ASBOX
1844## ------------- ##
1845## Test results. ##
1846## ------------- ##
1847_ASBOX
1848echo
1849{
1850 echo
1851 cat <<\_ASBOX
1852## ------------- ##
1853## Test results. ##
1854## ------------- ##
1855_ASBOX
1856 echo
1857} >&5
1858
1859if test $at_run_count = 1; then
1860 at_result="1 test"
1861 at_were=was
1862else
1863 at_result="$at_run_count tests"
1864 at_were=were
1865fi
1866if $at_errexit_p && test $at_unexpected_count != 0; then
1867 if test $at_xpass_count = 1; then
1868 at_result="$at_result $at_were run, one passed"
1869 else
1870 at_result="$at_result $at_were run, one failed"
1871 fi
1872 at_result="$at_result unexpectedly and inhibited subsequent tests."
1873else
1874 # Don't you just love exponential explosion of the number of cases?
1875 case $at_xpass_count:$at_fail_count:$at_xfail_count in
1876 # So far, so good.
1877 0:0:0) at_result="$at_result $at_were successful." ;;
1878 0:0:*) at_result="$at_result behaved as expected." ;;
1879
1880 # Some unexpected failures
1881 0:*:0) at_result="$at_result $at_were run,
1882$at_fail_count failed unexpectedly." ;;
1883
1884 # Some failures, both expected and unexpected
1885 0:*:1) at_result="$at_result $at_were run,
1886$at_total_fail_count failed ($at_xfail_count expected failure)." ;;
1887 0:*:*) at_result="$at_result $at_were run,
1888$at_total_fail_count failed ($at_xfail_count expected failures)." ;;
1889
1890 # No unexpected failures, but some xpasses
1891 *:0:*) at_result="$at_result $at_were run,
1892$at_xpass_count passed unexpectedly." ;;
1893
1894 # No expected failures, but failures and xpasses
1895 *:1:0) at_result="$at_result $at_were run,
1896$at_unexpected_count did not behave as expected ($at_fail_count unexpected failure)." ;;
1897 *:*:0) at_result="$at_result $at_were run,
1898$at_unexpected_count did not behave as expected ($at_fail_count unexpected failures)." ;;
1899
1900 # All of them.
1901 *:*:1) at_result="$at_result $at_were run,
1902$at_xpass_count passed unexpectedly,
1903$at_total_fail_count failed ($at_xfail_count expected failure)." ;;
1904 *:*:*) at_result="$at_result $at_were run,
1905$at_xpass_count passed unexpectedly,
1906$at_total_fail_count failed ($at_xfail_count expected failures)." ;;
1907 esac
1908
1909 if test $at_skip_count = 0 && test $at_run_count -gt 1; then
1910 at_result="All $at_result"
1911 fi
1912fi
1913
1914# Now put skips in the mix.
1915case $at_skip_count in
1916 0) ;;
1917 1) at_result="$at_result
19181 test was skipped." ;;
1919 *) at_result="$at_result
1920$at_skip_count tests were skipped." ;;
1921esac
1922
1923if test $at_unexpected_count = 0; then
1924 echo "$at_result"
1925 echo "$at_result" >&5
1926else
1927 echo "ERROR: $at_result" >&2
1928 echo "ERROR: $at_result" >&5
1929 {
1930 echo
1931 cat <<\_ASBOX
1932## ------------------------ ##
1933## Summary of the failures. ##
1934## ------------------------ ##
1935_ASBOX
1936
1937 # Summary of failed and skipped tests.
1938 if test $at_fail_count != 0; then
1939 echo "Failed tests:"
1940 $SHELL "$at_myself" $at_fail_list --list
1941 echo
1942 fi
1943 if test $at_skip_count != 0; then
1944 echo "Skipped tests:"
1945 $SHELL "$at_myself" $at_skip_list --list
1946 echo
1947 fi
1948 if test $at_xpass_count != 0; then
1949 echo "Unexpected passes:"
1950 $SHELL "$at_myself" $at_xpass_list --list
1951 echo
1952 fi
1953 if test $at_fail_count != 0; then
1954 cat <<\_ASBOX
1955## ---------------------- ##
1956## Detailed failed tests. ##
1957## ---------------------- ##
1958_ASBOX
1959 echo
1960 for at_group in $at_fail_list
1961 do
1962 at_group_normalized=$at_group
1963
1964 eval 'while :; do
1965 case $at_group_normalized in #(
1966 '"$at_format"'*) break;;
1967 esac
1968 at_group_normalized=0$at_group_normalized
1969 done'
1970
1971 cat "$at_suite_dir/$at_group_normalized/$as_me.log"
1972 echo
1973 done
1974 echo
1975 fi
1976 if test -n "$at_top_srcdir"; then
1977 sed 'h;s/./-/g;s/^.../## /;s/...$/ ##/;p;x;p;x' <<_ASBOX
1978## ${at_top_build_prefix}config.log ##
1979_ASBOX
1980 sed 's/^/| /' ${at_top_build_prefix}config.log
1981 echo
1982 fi
1983 } >&5
1984
1985 sed 'h;s/./-/g;s/^.../## /;s/...$/ ##/;p;x;p;x' <<_ASBOX
1986## $as_me.log was created. ##
1987_ASBOX
1988
1989 echo
1990 if $at_debug_p; then
1991 at_msg='per-test log files'
1992 else
1993 at_msg="\`${at_testdir+${at_testdir}/}$as_me.log'"
1994 fi
1995 $as_echo "Please send $at_msg and all information you think might help:
1996
1997 To: <heber@ins.uni-bonn.de>
1998 Subject: [Molecuilder 1.0] $as_me: $at_fail_list${at_fail_list:+ failed${at_xpass_list:+, }}$at_xpass_list${at_xpass_list:+ passed unexpectedly}
1999
2000You may investigate any problem if you feel able to do so, in which
2001case the test suite provides a good starting point. Its output may
2002be found below \`${at_testdir+${at_testdir}/}$as_me.dir'.
2003"
2004 exit 1
2005fi
2006
2007exit 0
2008
2009## ------------- ##
2010## Actual tests. ##
2011## ------------- ##
2012#AT_START_1
2013# 1. testsuite-standard_options.at:3: Standard Options - verbosity
2014at_setup_line='testsuite-standard_options.at:3'
2015at_fn_banner 1
2016at_desc="Standard Options - verbosity"
2017at_desc_line=" 1: $at_desc "
2018$at_quiet $as_echo_n "$at_desc_line"
2019at_xfail=no
2020echo "# -*- compilation -*-" >> "$at_group_log"
2021(
2022 $as_echo "1. testsuite-standard_options.at:3: testing ..."
2023 $at_traceon
2024
2025
2026{ set +x
2027$as_echo "$at_srcdir/testsuite-standard_options.at:5: pwd"
2028at_fn_check_prepare_trace "testsuite-standard_options.at:5"
2029( $at_check_trace; pwd
2030) >>"$at_stdout" 2>>"$at_stderr"
2031at_status=$? at_failed=false
2032$at_check_filter
2033at_fn_diff_devnull "$at_stderr" || at_failed=:
2034echo stdout:; cat "$at_stdout"
2035at_fn_check_skip $at_status "$at_srcdir/testsuite-standard_options.at:5"
2036$at_failed && at_fn_log_failure
2037$at_traceon; }
2038
2039{ set +x
2040$as_echo "$at_srcdir/testsuite-standard_options.at:6: ../../molecuilder -v 1"
2041at_fn_check_prepare_trace "testsuite-standard_options.at:6"
2042( $at_check_trace; ../../molecuilder -v 1
2043) >>"$at_stdout" 2>>"$at_stderr"
2044at_status=$? at_failed=false
2045$at_check_filter
2046echo stderr:; cat "$at_stderr"
2047echo stdout:; tee stdout <"$at_stdout"
2048at_fn_check_status 0 $at_status "$at_srcdir/testsuite-standard_options.at:6"
2049$at_failed && at_fn_log_failure
2050$at_traceon; }
2051
2052{ set +x
2053$as_echo "$at_srcdir/testsuite-standard_options.at:7: fgrep olecuilder stdout"
2054at_fn_check_prepare_trace "testsuite-standard_options.at:7"
2055( $at_check_trace; fgrep olecuilder stdout
2056) >>"$at_stdout" 2>>"$at_stderr"
2057at_status=$? at_failed=false
2058$at_check_filter
2059echo stderr:; cat "$at_stderr"
2060echo stdout:; cat "$at_stdout"
2061at_fn_check_status 0 $at_status "$at_srcdir/testsuite-standard_options.at:7"
2062$at_failed && at_fn_log_failure
2063$at_traceon; }
2064
2065 set +x
2066 $at_times_p && times >"$at_times_file"
2067) 5>&1 2>&1 | eval $at_tee_pipe
2068read at_status <"$at_status_file"
2069#AT_STOP_1
2070#AT_START_2
2071# 2. testsuite-standard_options.at:11: Standard Options - help screen
2072at_setup_line='testsuite-standard_options.at:11'
2073at_fn_banner 1
2074at_desc="Standard Options - help screen"
2075at_desc_line=" 2: $at_desc "
2076$at_quiet $as_echo_n "$at_desc_line"
2077at_xfail=no
2078echo "# -*- compilation -*-" >> "$at_group_log"
2079(
2080 $as_echo "2. testsuite-standard_options.at:11: testing ..."
2081 $at_traceon
2082
2083
2084{ set +x
2085$as_echo "$at_srcdir/testsuite-standard_options.at:13: ../../molecuilder -h"
2086at_fn_check_prepare_trace "testsuite-standard_options.at:13"
2087( $at_check_trace; ../../molecuilder -h
2088) >>"$at_stdout" 2>>"$at_stderr"
2089at_status=$? at_failed=false
2090$at_check_filter
2091echo stderr:; cat "$at_stderr"
2092echo stdout:; tee stdout <"$at_stdout"
2093at_fn_check_status 0 $at_status "$at_srcdir/testsuite-standard_options.at:13"
2094$at_failed && at_fn_log_failure
2095$at_traceon; }
2096
2097{ set +x
2098$as_echo "$at_srcdir/testsuite-standard_options.at:14: fgrep \"Give this help screen\" stdout"
2099at_fn_check_prepare_trace "testsuite-standard_options.at:14"
2100( $at_check_trace; fgrep "Give this help screen" stdout
2101) >>"$at_stdout" 2>>"$at_stderr"
2102at_status=$? at_failed=false
2103$at_check_filter
2104echo stderr:; cat "$at_stderr"
2105echo stdout:; cat "$at_stdout"
2106at_fn_check_status 0 $at_status "$at_srcdir/testsuite-standard_options.at:14"
2107$at_failed && at_fn_log_failure
2108$at_traceon; }
2109
2110 set +x
2111 $at_times_p && times >"$at_times_file"
2112) 5>&1 2>&1 | eval $at_tee_pipe
2113read at_status <"$at_status_file"
2114#AT_STOP_2
2115#AT_START_3
2116# 3. testsuite-standard_options.at:18: Standard Options - no element database
2117at_setup_line='testsuite-standard_options.at:18'
2118at_fn_banner 1
2119at_desc="Standard Options - no element database"
2120at_desc_line=" 3: $at_desc "
2121$at_quiet $as_echo_n "$at_desc_line"
2122at_xfail=no
2123echo "# -*- compilation -*-" >> "$at_group_log"
2124(
2125 $as_echo "3. testsuite-standard_options.at:18: testing ..."
2126 $at_traceon
2127
2128
2129{ set +x
2130$as_echo "$at_srcdir/testsuite-standard_options.at:20: ../../molecuilder -e"
2131at_fn_check_prepare_trace "testsuite-standard_options.at:20"
2132( $at_check_trace; ../../molecuilder -e
2133) >>"$at_stdout" 2>>"$at_stderr"
2134at_status=$? at_failed=false
2135$at_check_filter
2136echo stderr:; tee stderr <"$at_stderr"
2137echo stdout:; cat "$at_stdout"
2138at_fn_check_status 255 $at_status "$at_srcdir/testsuite-standard_options.at:20"
2139$at_failed && at_fn_log_failure
2140$at_traceon; }
2141
2142{ set +x
2143$as_echo "$at_srcdir/testsuite-standard_options.at:21: fgrep \"Not enough or invalid arguments\" stderr"
2144at_fn_check_prepare_trace "testsuite-standard_options.at:21"
2145( $at_check_trace; fgrep "Not enough or invalid arguments" stderr
2146) >>"$at_stdout" 2>>"$at_stderr"
2147at_status=$? at_failed=false
2148$at_check_filter
2149echo stderr:; cat "$at_stderr"
2150echo stdout:; cat "$at_stdout"
2151at_fn_check_status 0 $at_status "$at_srcdir/testsuite-standard_options.at:21"
2152$at_failed && at_fn_log_failure
2153$at_traceon; }
2154
2155 set +x
2156 $at_times_p && times >"$at_times_file"
2157) 5>&1 2>&1 | eval $at_tee_pipe
2158read at_status <"$at_status_file"
2159#AT_STOP_3
2160#AT_START_4
2161# 4. testsuite-standard_options.at:25: Standard Options - element database
2162at_setup_line='testsuite-standard_options.at:25'
2163at_fn_banner 1
2164at_desc="Standard Options - element database"
2165at_desc_line=" 4: $at_desc "
2166$at_quiet $as_echo_n "$at_desc_line"
2167at_xfail=no
2168echo "# -*- compilation -*-" >> "$at_group_log"
2169(
2170 $as_echo "4. testsuite-standard_options.at:25: testing ..."
2171 $at_traceon
2172
2173
2174cat >elements.db <<'_ATEOF'
2175# Covalent radius of each element in Angstroem from CSD (binding is: [Rcov(A)+Rcov(B)-t,Rcov(A)+Rcov(B)+t] with t = 0.4A
2176#Element Name Symbol Period Group Block Atomic Number AtomicWeight Covalent Radius vdW Radius
2177Hydrogen H 1 1 s 1 1.008 0.23 1.09
2178Helium He 1 18 p 2 4.003 1.5 1.4
2179_ATEOF
2180
2181{ set +x
2182$as_echo "$at_srcdir/testsuite-standard_options.at:32: ../../molecuilder test.conf -e ./"
2183at_fn_check_prepare_trace "testsuite-standard_options.at:32"
2184( $at_check_trace; ../../molecuilder test.conf -e ./
2185) >>"$at_stdout" 2>>"$at_stderr"
2186at_status=$? at_failed=false
2187$at_check_filter
2188echo stderr:; tee stderr <"$at_stderr"
2189echo stdout:; tee stdout <"$at_stdout"
2190at_fn_check_status 0 $at_status "$at_srcdir/testsuite-standard_options.at:32"
2191$at_failed && at_fn_log_failure
2192$at_traceon; }
2193
2194{ set +x
2195$as_echo "$at_srcdir/testsuite-standard_options.at:33: grep -E \"Using.*as elements database.\" stdout"
2196at_fn_check_prepare_trace "testsuite-standard_options.at:33"
2197( $at_check_trace; grep -E "Using.*as elements database." stdout
2198) >>"$at_stdout" 2>>"$at_stderr"
2199at_status=$? at_failed=false
2200$at_check_filter
2201echo stderr:; cat "$at_stderr"
2202echo stdout:; cat "$at_stdout"
2203at_fn_check_status 0 $at_status "$at_srcdir/testsuite-standard_options.at:33"
2204$at_failed && at_fn_log_failure
2205$at_traceon; }
2206
2207{ set +x
2208$as_echo "$at_srcdir/testsuite-standard_options.at:34: fgrep \"Element list loaded successfully.\" stdout"
2209at_fn_check_prepare_trace "testsuite-standard_options.at:34"
2210( $at_check_trace; fgrep "Element list loaded successfully." stdout
2211) >>"$at_stdout" 2>>"$at_stderr"
2212at_status=$? at_failed=false
2213$at_check_filter
2214echo stderr:; cat "$at_stderr"
2215echo stdout:; cat "$at_stdout"
2216at_fn_check_status 0 $at_status "$at_srcdir/testsuite-standard_options.at:34"
2217$at_failed && at_fn_log_failure
2218$at_traceon; }
2219
2220{ set +x
2221$as_echo "$at_srcdir/testsuite-standard_options.at:35: fgrep \"Something went wrong while parsing the other databases!\" stderr"
2222at_fn_check_prepare_trace "testsuite-standard_options.at:35"
2223( $at_check_trace; fgrep "Something went wrong while parsing the other databases!" stderr
2224) >>"$at_stdout" 2>>"$at_stderr"
2225at_status=$? at_failed=false
2226$at_check_filter
2227echo stderr:; cat "$at_stderr"
2228echo stdout:; cat "$at_stdout"
2229at_fn_check_status 0 $at_status "$at_srcdir/testsuite-standard_options.at:35"
2230$at_failed && at_fn_log_failure
2231$at_traceon; }
2232
2233 set +x
2234 $at_times_p && times >"$at_times_file"
2235) 5>&1 2>&1 | eval $at_tee_pipe
2236read at_status <"$at_status_file"
2237#AT_STOP_4
2238#AT_START_5
2239# 5. testsuite-standard_options.at:39: Standard Options - bond length table
2240at_setup_line='testsuite-standard_options.at:39'
2241at_fn_banner 1
2242at_desc="Standard Options - bond length table"
2243at_desc_line=" 5: $at_desc "
2244$at_quiet $as_echo_n "$at_desc_line"
2245at_xfail=no
2246echo "# -*- compilation -*-" >> "$at_group_log"
2247(
2248 $as_echo "5. testsuite-standard_options.at:39: testing ..."
2249 $at_traceon
2250
2251
2252cat >bondlength.db <<'_ATEOF'
2253# bond length database
2254 1 2
22551 1. 0.
22562 0. 0.
2257_ATEOF
2258
2259{ set +x
2260$as_echo "$at_srcdir/testsuite-standard_options.at:46: ../../molecuilder test.conf -g bondlength.db"
2261at_fn_check_prepare_trace "testsuite-standard_options.at:46"
2262( $at_check_trace; ../../molecuilder test.conf -g bondlength.db
2263) >>"$at_stdout" 2>>"$at_stderr"
2264at_status=$? at_failed=false
2265$at_check_filter
2266echo stderr:; tee stderr <"$at_stderr"
2267echo stdout:; tee stdout <"$at_stdout"
2268at_fn_check_status 0 $at_status "$at_srcdir/testsuite-standard_options.at:46"
2269$at_failed && at_fn_log_failure
2270$at_traceon; }
2271
2272{ set +x
2273$as_echo "$at_srcdir/testsuite-standard_options.at:47: grep -E \"Using.*as bond length table.\" stdout"
2274at_fn_check_prepare_trace "testsuite-standard_options.at:47"
2275( $at_check_trace; grep -E "Using.*as bond length table." stdout
2276) >>"$at_stdout" 2>>"$at_stderr"
2277at_status=$? at_failed=false
2278$at_check_filter
2279echo stderr:; cat "$at_stderr"
2280echo stdout:; cat "$at_stdout"
2281at_fn_check_status 0 $at_status "$at_srcdir/testsuite-standard_options.at:47"
2282$at_failed && at_fn_log_failure
2283$at_traceon; }
2284
2285 set +x
2286 $at_times_p && times >"$at_times_file"
2287) 5>&1 2>&1 | eval $at_tee_pipe
2288read at_status <"$at_status_file"
2289#AT_STOP_5
2290#AT_START_6
2291# 6. testsuite-standard_options.at:51: Standard Options - fast trajectories
2292at_setup_line='testsuite-standard_options.at:51'
2293at_fn_banner 1
2294at_desc="Standard Options - fast trajectories"
2295at_desc_line=" 6: $at_desc "
2296$at_quiet $as_echo_n "$at_desc_line"
2297at_xfail=no
2298echo "# -*- compilation -*-" >> "$at_group_log"
2299(
2300 $as_echo "6. testsuite-standard_options.at:51: testing ..."
2301 $at_traceon
2302
2303
2304{ set +x
2305$as_echo "$at_srcdir/testsuite-standard_options.at:53: ../../molecuilder test.conf -n"
2306at_fn_check_prepare_trace "testsuite-standard_options.at:53"
2307( $at_check_trace; ../../molecuilder test.conf -n
2308) >>"$at_stdout" 2>>"$at_stderr"
2309at_status=$? at_failed=false
2310$at_check_filter
2311echo stderr:; tee stderr <"$at_stderr"
2312echo stdout:; tee stdout <"$at_stdout"
2313at_fn_check_status 0 $at_status "$at_srcdir/testsuite-standard_options.at:53"
2314$at_failed && at_fn_log_failure
2315$at_traceon; }
2316
2317{ set +x
2318$as_echo "$at_srcdir/testsuite-standard_options.at:54: fgrep \"I won't parse trajectories\" stdout"
2319at_fn_check_prepare_trace "testsuite-standard_options.at:54"
2320( $at_check_trace; fgrep "I won't parse trajectories" stdout
2321) >>"$at_stdout" 2>>"$at_stderr"
2322at_status=$? at_failed=false
2323$at_check_filter
2324echo stderr:; cat "$at_stderr"
2325echo stdout:; cat "$at_stdout"
2326at_fn_check_status 0 $at_status "$at_srcdir/testsuite-standard_options.at:54"
2327$at_failed && at_fn_log_failure
2328$at_traceon; }
2329
2330 set +x
2331 $at_times_p && times >"$at_times_file"
2332) 5>&1 2>&1 | eval $at_tee_pipe
2333read at_status <"$at_status_file"
2334#AT_STOP_6
2335#AT_START_7
2336# 7. testsuite-standard_options.at:58: Standard Options - molecule default name
2337at_setup_line='testsuite-standard_options.at:58'
2338at_fn_banner 1
2339at_desc="Standard Options - molecule default name"
2340at_desc_line=" 7: $at_desc "
2341$at_quiet $as_echo_n "$at_desc_line"
2342at_xfail=no
2343echo "# -*- compilation -*-" >> "$at_group_log"
2344(
2345 $as_echo "7. testsuite-standard_options.at:58: testing ..."
2346 $at_traceon
2347
2348
2349{ set +x
2350$as_echo "$at_srcdir/testsuite-standard_options.at:60: ../../molecuilder test.conf -X test"
2351at_fn_check_prepare_trace "testsuite-standard_options.at:60"
2352( $at_check_trace; ../../molecuilder test.conf -X test
2353) >>"$at_stdout" 2>>"$at_stderr"
2354at_status=$? at_failed=false
2355$at_check_filter
2356echo stderr:; tee stderr <"$at_stderr"
2357echo stdout:; tee stdout <"$at_stdout"
2358at_fn_check_status 0 $at_status "$at_srcdir/testsuite-standard_options.at:60"
2359$at_failed && at_fn_log_failure
2360$at_traceon; }
2361
2362{ set +x
2363$as_echo "$at_srcdir/testsuite-standard_options.at:61: fgrep \"Default name of new molecules set to test.\" stdout"
2364at_fn_check_prepare_trace "testsuite-standard_options.at:61"
2365( $at_check_trace; fgrep "Default name of new molecules set to test." stdout
2366) >>"$at_stdout" 2>>"$at_stderr"
2367at_status=$? at_failed=false
2368$at_check_filter
2369echo stderr:; cat "$at_stderr"
2370echo stdout:; cat "$at_stdout"
2371at_fn_check_status 0 $at_status "$at_srcdir/testsuite-standard_options.at:61"
2372$at_failed && at_fn_log_failure
2373$at_traceon; }
2374
2375 set +x
2376 $at_times_p && times >"$at_times_file"
2377) 5>&1 2>&1 | eval $at_tee_pipe
2378read at_status <"$at_status_file"
2379#AT_STOP_7
2380#AT_START_8
2381# 8. testsuite-specifics.at:3: Specifics - MPQC basis
2382at_setup_line='testsuite-specifics.at:3'
2383at_fn_banner 2
2384at_desc="Specifics - MPQC basis"
2385at_desc_line=" 8: $at_desc "
2386$at_quiet $as_echo_n "$at_desc_line"
2387at_xfail=no
2388echo "# -*- compilation -*-" >> "$at_group_log"
2389(
2390 $as_echo "8. testsuite-specifics.at:3: testing ..."
2391 $at_traceon
2392
2393
2394{ set +x
2395$as_echo "$at_srcdir/testsuite-specifics.at:5: pwd"
2396at_fn_check_prepare_trace "testsuite-specifics.at:5"
2397( $at_check_trace; pwd
2398) >>"$at_stdout" 2>>"$at_stderr"
2399at_status=$? at_failed=false
2400$at_check_filter
2401at_fn_diff_devnull "$at_stderr" || at_failed=:
2402echo stdout:; cat "$at_stdout"
2403at_fn_check_skip $at_status "$at_srcdir/testsuite-specifics.at:5"
2404$at_failed && at_fn_log_failure
2405$at_traceon; }
2406
2407{ set +x
2408$as_echo "$at_srcdir/testsuite-specifics.at:6: ../../molecuilder test.conf -v 1 -M test"
2409at_fn_check_prepare_trace "testsuite-specifics.at:6"
2410( $at_check_trace; ../../molecuilder test.conf -v 1 -M test
2411) >>"$at_stdout" 2>>"$at_stderr"
2412at_status=$? at_failed=false
2413$at_check_filter
2414echo stderr:; cat "$at_stderr"
2415echo stdout:; tee stdout <"$at_stdout"
2416at_fn_check_status 0 $at_status "$at_srcdir/testsuite-specifics.at:6"
2417$at_failed && at_fn_log_failure
2418$at_traceon; }
2419
2420{ set +x
2421$as_echo "$at_srcdir/testsuite-specifics.at:7: fgrep \"Setting MPQC basis to test.\" stdout"
2422at_fn_check_prepare_trace "testsuite-specifics.at:7"
2423( $at_check_trace; fgrep "Setting MPQC basis to test." stdout
2424) >>"$at_stdout" 2>>"$at_stderr"
2425at_status=$? at_failed=false
2426$at_check_filter
2427echo stderr:; cat "$at_stderr"
2428echo stdout:; cat "$at_stdout"
2429at_fn_check_status 0 $at_status "$at_srcdir/testsuite-specifics.at:7"
2430$at_failed && at_fn_log_failure
2431$at_traceon; }
2432
2433 set +x
2434 $at_times_p && times >"$at_times_file"
2435) 5>&1 2>&1 | eval $at_tee_pipe
2436read at_status <"$at_status_file"
2437#AT_STOP_8
2438#AT_START_9
2439# 9. testsuite-simple_configuration.at:3: Simple configuration - xyz file generation
2440at_setup_line='testsuite-simple_configuration.at:3'
2441at_fn_banner 3
2442at_desc="Simple configuration - xyz file generation"
2443at_desc_line=" 9: $at_desc "
2444$at_quiet $as_echo_n "$at_desc_line"
2445at_xfail=no
2446echo "# -*- compilation -*-" >> "$at_group_log"
2447(
2448 $as_echo "9. testsuite-simple_configuration.at:3: testing ..."
2449 $at_traceon
2450
2451
2452cat >test.xyz <<'_ATEOF'
24531
2454 # test configuration, created by molecuilder test suite
2455H 10. 10. 10.
2456_ATEOF
2457
2458{ set +x
2459$as_echo "$at_srcdir/testsuite-simple_configuration.at:9: file=test.xyz; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Simple_configuration/1/post/\$file"
2460at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:9"
2461( $at_check_trace; file=test.xyz; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Simple_configuration/1/post/$file
2462) >>"$at_stdout" 2>>"$at_stderr"
2463at_status=$? at_failed=false
2464$at_check_filter
2465echo stderr:; cat "$at_stderr"
2466echo stdout:; cat "$at_stdout"
2467at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:9"
2468$at_failed && at_fn_log_failure
2469$at_traceon; }
2470
2471 set +x
2472 $at_times_p && times >"$at_times_file"
2473) 5>&1 2>&1 | eval $at_tee_pipe
2474read at_status <"$at_status_file"
2475#AT_STOP_9
2476#AT_START_10
2477# 10. testsuite-simple_configuration.at:13: Simple configuration - parsing xyz file
2478at_setup_line='testsuite-simple_configuration.at:13'
2479at_fn_banner 3
2480at_desc="Simple configuration - parsing xyz file"
2481at_desc_line=" 10: $at_desc "
2482$at_quiet $as_echo_n "$at_desc_line"
2483at_xfail=no
2484echo "# -*- compilation -*-" >> "$at_group_log"
2485(
2486 $as_echo "10. testsuite-simple_configuration.at:13: testing ..."
2487 $at_traceon
2488
2489
2490{ set +x
2491$as_echo "$at_srcdir/testsuite-simple_configuration.at:15: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Simple_configuration/2/pre/test.xyz ."
2492at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:15"
2493( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Simple_configuration/2/pre/test.xyz .
2494) >>"$at_stdout" 2>>"$at_stderr"
2495at_status=$? at_failed=false
2496$at_check_filter
2497at_fn_diff_devnull "$at_stderr" || at_failed=:
2498at_fn_diff_devnull "$at_stdout" || at_failed=:
2499at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:15"
2500$at_failed && at_fn_log_failure
2501$at_traceon; }
2502
2503{ set +x
2504$as_echo "$at_srcdir/testsuite-simple_configuration.at:16: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -p test.xyz"
2505at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:16"
2506( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -p test.xyz
2507) >>"$at_stdout" 2>>"$at_stderr"
2508at_status=$? at_failed=false
2509$at_check_filter
2510echo stderr:; cat "$at_stderr"
2511echo stdout:; cat "$at_stdout"
2512at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:16"
2513$at_failed && at_fn_log_failure
2514$at_traceon; }
2515
2516{ set +x
2517$as_echo "$at_srcdir/testsuite-simple_configuration.at:17: fgrep \"Ion_Type1_1\" test.conf"
2518at_fn_check_prepare_trace "testsuite-simple_configuration.at:17"
2519( $at_check_trace; fgrep "Ion_Type1_1" test.conf
2520) >>"$at_stdout" 2>>"$at_stderr"
2521at_status=$? at_failed=false
2522$at_check_filter
2523echo stderr:; cat "$at_stderr"
2524echo >>"$at_stdout"; $as_echo "Ion_Type1_1 10.000000000 10.000000000 10.000000000 0 # molecule nr 0
2525" | \
2526 $at_diff - "$at_stdout" || at_failed=:
2527at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:17"
2528$at_failed && at_fn_log_failure
2529$at_traceon; }
2530
2531{ set +x
2532$as_echo "$at_srcdir/testsuite-simple_configuration.at:19: file=test.conf; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Simple_configuration/2/post/\$file"
2533at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:19"
2534( $at_check_trace; file=test.conf; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Simple_configuration/2/post/$file
2535) >>"$at_stdout" 2>>"$at_stderr"
2536at_status=$? at_failed=false
2537$at_check_filter
2538echo stderr:; cat "$at_stderr"
2539echo stdout:; cat "$at_stdout"
2540at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:19"
2541$at_failed && at_fn_log_failure
2542$at_traceon; }
2543
2544{ set +x
2545$as_echo "$at_srcdir/testsuite-simple_configuration.at:20: file=test.conf.in; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Simple_configuration/2/post/\$file"
2546at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:20"
2547( $at_check_trace; file=test.conf.in; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Simple_configuration/2/post/$file
2548) >>"$at_stdout" 2>>"$at_stderr"
2549at_status=$? at_failed=false
2550$at_check_filter
2551echo stderr:; cat "$at_stderr"
2552echo stdout:; cat "$at_stdout"
2553at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:20"
2554$at_failed && at_fn_log_failure
2555$at_traceon; }
2556
2557{ set +x
2558$as_echo "$at_srcdir/testsuite-simple_configuration.at:21: file=test.conf.xyz; diff -I '.*Created by molecuilder.*' \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Simple_configuration/2/post/\$file"
2559at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:21"
2560( $at_check_trace; file=test.conf.xyz; diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Simple_configuration/2/post/$file
2561) >>"$at_stdout" 2>>"$at_stderr"
2562at_status=$? at_failed=false
2563$at_check_filter
2564echo stderr:; cat "$at_stderr"
2565echo stdout:; cat "$at_stdout"
2566at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:21"
2567$at_failed && at_fn_log_failure
2568$at_traceon; }
2569
2570 set +x
2571 $at_times_p && times >"$at_times_file"
2572) 5>&1 2>&1 | eval $at_tee_pipe
2573read at_status <"$at_status_file"
2574#AT_STOP_10
2575#AT_START_11
2576# 11. testsuite-simple_configuration.at:25: Simple configuration - adding atom
2577at_setup_line='testsuite-simple_configuration.at:25'
2578at_fn_banner 3
2579at_desc="Simple configuration - adding atom"
2580at_desc_line=" 11: $at_desc "
2581$at_quiet $as_echo_n "$at_desc_line"
2582at_xfail=no
2583echo "# -*- compilation -*-" >> "$at_group_log"
2584(
2585 $as_echo "11. testsuite-simple_configuration.at:25: testing ..."
2586 $at_traceon
2587
2588
2589{ set +x
2590$as_echo "$at_srcdir/testsuite-simple_configuration.at:27: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -a 1 10. 10. 10."
2591at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:27"
2592( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -a 1 10. 10. 10.
2593) >>"$at_stdout" 2>>"$at_stderr"
2594at_status=$? at_failed=false
2595$at_check_filter
2596echo stderr:; cat "$at_stderr"
2597echo stdout:; cat "$at_stdout"
2598at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:27"
2599$at_failed && at_fn_log_failure
2600$at_traceon; }
2601
2602{ set +x
2603$as_echo "$at_srcdir/testsuite-simple_configuration.at:28: file=test.conf; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Simple_configuration/3/post/\$file"
2604at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:28"
2605( $at_check_trace; file=test.conf; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Simple_configuration/3/post/$file
2606) >>"$at_stdout" 2>>"$at_stderr"
2607at_status=$? at_failed=false
2608$at_check_filter
2609echo stderr:; cat "$at_stderr"
2610echo stdout:; cat "$at_stdout"
2611at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:28"
2612$at_failed && at_fn_log_failure
2613$at_traceon; }
2614
2615{ set +x
2616$as_echo "$at_srcdir/testsuite-simple_configuration.at:29: file=test.conf.in; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Simple_configuration/3/post/\$file"
2617at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:29"
2618( $at_check_trace; file=test.conf.in; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Simple_configuration/3/post/$file
2619) >>"$at_stdout" 2>>"$at_stderr"
2620at_status=$? at_failed=false
2621$at_check_filter
2622echo stderr:; cat "$at_stderr"
2623echo stdout:; cat "$at_stdout"
2624at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:29"
2625$at_failed && at_fn_log_failure
2626$at_traceon; }
2627
2628{ set +x
2629$as_echo "$at_srcdir/testsuite-simple_configuration.at:30: file=test.conf.xyz; diff -I '.*Created by molecuilder.*' \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Simple_configuration/3/post/\$file"
2630at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:30"
2631( $at_check_trace; file=test.conf.xyz; diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Simple_configuration/3/post/$file
2632) >>"$at_stdout" 2>>"$at_stderr"
2633at_status=$? at_failed=false
2634$at_check_filter
2635echo stderr:; cat "$at_stderr"
2636echo stdout:; cat "$at_stdout"
2637at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:30"
2638$at_failed && at_fn_log_failure
2639$at_traceon; }
2640
2641 set +x
2642 $at_times_p && times >"$at_times_file"
2643) 5>&1 2>&1 | eval $at_tee_pipe
2644read at_status <"$at_status_file"
2645#AT_STOP_11
2646#AT_START_12
2647# 12. testsuite-simple_configuration.at:34: Simple configuration - Changing element
2648at_setup_line='testsuite-simple_configuration.at:34'
2649at_fn_banner 3
2650at_desc="Simple configuration - Changing element"
2651at_desc_line=" 12: $at_desc "
2652$at_quiet $as_echo_n "$at_desc_line"
2653at_xfail=no
2654echo "# -*- compilation -*-" >> "$at_group_log"
2655(
2656 $as_echo "12. testsuite-simple_configuration.at:34: testing ..."
2657 $at_traceon
2658
2659
2660{ set +x
2661$as_echo "$at_srcdir/testsuite-simple_configuration.at:36: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Simple_configuration/4/pre/test.conf test.conf"
2662at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:36"
2663( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Simple_configuration/4/pre/test.conf test.conf
2664) >>"$at_stdout" 2>>"$at_stderr"
2665at_status=$? at_failed=false
2666$at_check_filter
2667at_fn_diff_devnull "$at_stderr" || at_failed=:
2668at_fn_diff_devnull "$at_stdout" || at_failed=:
2669at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:36"
2670$at_failed && at_fn_log_failure
2671$at_traceon; }
2672
2673{ set +x
2674$as_echo "$at_srcdir/testsuite-simple_configuration.at:37: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -E 0 6"
2675at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:37"
2676( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -E 0 6
2677) >>"$at_stdout" 2>>"$at_stderr"
2678at_status=$? at_failed=false
2679$at_check_filter
2680echo stderr:; cat "$at_stderr"
2681echo stdout:; cat "$at_stdout"
2682at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:37"
2683$at_failed && at_fn_log_failure
2684$at_traceon; }
2685
2686{ set +x
2687$as_echo "$at_srcdir/testsuite-simple_configuration.at:38: file=test.conf; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Simple_configuration/4/post/\$file"
2688at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:38"
2689( $at_check_trace; file=test.conf; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Simple_configuration/4/post/$file
2690) >>"$at_stdout" 2>>"$at_stderr"
2691at_status=$? at_failed=false
2692$at_check_filter
2693echo stderr:; cat "$at_stderr"
2694echo stdout:; cat "$at_stdout"
2695at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:38"
2696$at_failed && at_fn_log_failure
2697$at_traceon; }
2698
2699 set +x
2700 $at_times_p && times >"$at_times_file"
2701) 5>&1 2>&1 | eval $at_tee_pipe
2702read at_status <"$at_status_file"
2703#AT_STOP_12
2704#AT_START_13
2705# 13. testsuite-simple_configuration.at:42: Simple configuration - Atom removal
2706at_setup_line='testsuite-simple_configuration.at:42'
2707at_fn_banner 3
2708at_desc="Simple configuration - Atom removal"
2709at_desc_line=" 13: $at_desc "
2710$at_quiet $as_echo_n "$at_desc_line"
2711at_xfail=no
2712echo "# -*- compilation -*-" >> "$at_group_log"
2713(
2714 $as_echo "13. testsuite-simple_configuration.at:42: testing ..."
2715 $at_traceon
2716
2717
2718{ set +x
2719$as_echo "$at_srcdir/testsuite-simple_configuration.at:44: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Simple_configuration/5/pre/test.conf ."
2720at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:44"
2721( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Simple_configuration/5/pre/test.conf .
2722) >>"$at_stdout" 2>>"$at_stderr"
2723at_status=$? at_failed=false
2724$at_check_filter
2725at_fn_diff_devnull "$at_stderr" || at_failed=:
2726at_fn_diff_devnull "$at_stdout" || at_failed=:
2727at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:44"
2728$at_failed && at_fn_log_failure
2729$at_traceon; }
2730
2731{ set +x
2732$as_echo "$at_srcdir/testsuite-simple_configuration.at:45: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -r 0"
2733at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:45"
2734( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -r 0
2735) >>"$at_stdout" 2>>"$at_stderr"
2736at_status=$? at_failed=false
2737$at_check_filter
2738echo stderr:; cat "$at_stderr"
2739echo stdout:; cat "$at_stdout"
2740at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:45"
2741$at_failed && at_fn_log_failure
2742$at_traceon; }
2743
2744{ set +x
2745$as_echo "$at_srcdir/testsuite-simple_configuration.at:46: file=test.conf; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Simple_configuration/5/post/\$file"
2746at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:46"
2747( $at_check_trace; file=test.conf; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Simple_configuration/5/post/$file
2748) >>"$at_stdout" 2>>"$at_stderr"
2749at_status=$? at_failed=false
2750$at_check_filter
2751echo stderr:; cat "$at_stderr"
2752echo stdout:; cat "$at_stdout"
2753at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:46"
2754$at_failed && at_fn_log_failure
2755$at_traceon; }
2756
2757{ set +x
2758$as_echo "$at_srcdir/testsuite-simple_configuration.at:47: file=test.conf.in; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Simple_configuration/5/post/\$file"
2759at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:47"
2760( $at_check_trace; file=test.conf.in; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Simple_configuration/5/post/$file
2761) >>"$at_stdout" 2>>"$at_stderr"
2762at_status=$? at_failed=false
2763$at_check_filter
2764echo stderr:; cat "$at_stderr"
2765echo stdout:; cat "$at_stdout"
2766at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:47"
2767$at_failed && at_fn_log_failure
2768$at_traceon; }
2769
2770{ set +x
2771$as_echo "$at_srcdir/testsuite-simple_configuration.at:48: file=test.conf.xyz; diff -I '.*Created by molecuilder.*' \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Simple_configuration/5/post/\$file"
2772at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:48"
2773( $at_check_trace; file=test.conf.xyz; diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Simple_configuration/5/post/$file
2774) >>"$at_stdout" 2>>"$at_stderr"
2775at_status=$? at_failed=false
2776$at_check_filter
2777echo stderr:; cat "$at_stderr"
2778echo stdout:; cat "$at_stdout"
2779at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:48"
2780$at_failed && at_fn_log_failure
2781$at_traceon; }
2782
2783 set +x
2784 $at_times_p && times >"$at_times_file"
2785) 5>&1 2>&1 | eval $at_tee_pipe
2786read at_status <"$at_status_file"
2787#AT_STOP_13
2788#AT_START_14
2789# 14. testsuite-simple_configuration.at:52: Simple configuration - invalid commands on empty configs
2790at_setup_line='testsuite-simple_configuration.at:52'
2791at_fn_banner 3
2792at_desc="Simple configuration - invalid commands on empty configs"
2793at_desc_line=" 14: $at_desc"
2794$at_quiet $as_echo_n "$at_desc_line"
2795at_xfail=no
2796echo "# -*- compilation -*-" >> "$at_group_log"
2797(
2798 $as_echo "14. testsuite-simple_configuration.at:52: testing ..."
2799 $at_traceon
2800
2801
2802{ set +x
2803$as_echo "$at_srcdir/testsuite-simple_configuration.at:54: ../../molecuilder empty.conf -e \${abs_top_srcdir}/src/ -t -s -b -E -c -b -a -U -T -u"
2804at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:54"
2805( $at_check_trace; ../../molecuilder empty.conf -e ${abs_top_srcdir}/src/ -t -s -b -E -c -b -a -U -T -u
2806) >>"$at_stdout" 2>>"$at_stderr"
2807at_status=$? at_failed=false
2808$at_check_filter
2809echo stderr:; tee stderr <"$at_stderr"
2810echo stdout:; cat "$at_stdout"
2811at_fn_check_status 255 $at_status "$at_srcdir/testsuite-simple_configuration.at:54"
2812$at_failed && at_fn_log_failure
2813$at_traceon; }
2814
2815{ set +x
2816$as_echo "$at_srcdir/testsuite-simple_configuration.at:55: fgrep -c \"Not enough or invalid\" stderr"
2817at_fn_check_prepare_trace "testsuite-simple_configuration.at:55"
2818( $at_check_trace; fgrep -c "Not enough or invalid" stderr
2819) >>"$at_stdout" 2>>"$at_stderr"
2820at_status=$? at_failed=false
2821$at_check_filter
2822echo stderr:; cat "$at_stderr"
2823echo >>"$at_stdout"; $as_echo "1
2824" | \
2825 $at_diff - "$at_stdout" || at_failed=:
2826at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:55"
2827$at_failed && at_fn_log_failure
2828$at_traceon; }
2829
2830 set +x
2831 $at_times_p && times >"$at_times_file"
2832) 5>&1 2>&1 | eval $at_tee_pipe
2833read at_status <"$at_status_file"
2834#AT_STOP_14
2835#AT_START_15
2836# 15. testsuite-simple_configuration.at:60: Simple configuration - invalid commands on present configs
2837at_setup_line='testsuite-simple_configuration.at:60'
2838at_fn_banner 3
2839at_desc="Simple configuration - invalid commands on present configs"
2840at_desc_line=" 15: $at_desc"
2841$at_quiet $as_echo_n "$at_desc_line"
2842at_xfail=no
2843echo "# -*- compilation -*-" >> "$at_group_log"
2844(
2845 $as_echo "15. testsuite-simple_configuration.at:60: testing ..."
2846 $at_traceon
2847
2848
2849{ set +x
2850$as_echo "$at_srcdir/testsuite-simple_configuration.at:62: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Simple_configuration/7/pre/test.conf ."
2851at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:62"
2852( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Simple_configuration/7/pre/test.conf .
2853) >>"$at_stdout" 2>>"$at_stderr"
2854at_status=$? at_failed=false
2855$at_check_filter
2856at_fn_diff_devnull "$at_stderr" || at_failed=:
2857at_fn_diff_devnull "$at_stdout" || at_failed=:
2858at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:62"
2859$at_failed && at_fn_log_failure
2860$at_traceon; }
2861
2862{ set +x
2863$as_echo "$at_srcdir/testsuite-simple_configuration.at:63: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -t"
2864at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:63"
2865( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -t
2866) >>"$at_stdout" 2>>"$at_stderr"
2867at_status=$? at_failed=false
2868$at_check_filter
2869echo stderr:; tee stderr <"$at_stderr"
2870echo stdout:; cat "$at_stdout"
2871at_fn_check_status 255 $at_status "$at_srcdir/testsuite-simple_configuration.at:63"
2872$at_failed && at_fn_log_failure
2873$at_traceon; }
2874
2875{ set +x
2876$as_echo "$at_srcdir/testsuite-simple_configuration.at:64: fgrep -c \"CRITICAL: Not enough or invalid\" stderr"
2877at_fn_check_prepare_trace "testsuite-simple_configuration.at:64"
2878( $at_check_trace; fgrep -c "CRITICAL: Not enough or invalid" stderr
2879) >>"$at_stdout" 2>>"$at_stderr"
2880at_status=$? at_failed=false
2881$at_check_filter
2882echo stderr:; cat "$at_stderr"
2883echo stdout:; cat "$at_stdout"
2884at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:64"
2885$at_failed && at_fn_log_failure
2886$at_traceon; }
2887
2888{ set +x
2889$as_echo "$at_srcdir/testsuite-simple_configuration.at:65: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -s -b -E -c -b -a -U -T -u"
2890at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:65"
2891( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -s -b -E -c -b -a -U -T -u
2892) >>"$at_stdout" 2>>"$at_stderr"
2893at_status=$? at_failed=false
2894$at_check_filter
2895echo stderr:; tee stderr <"$at_stderr"
2896echo stdout:; cat "$at_stdout"
2897at_fn_check_status 255 $at_status "$at_srcdir/testsuite-simple_configuration.at:65"
2898$at_failed && at_fn_log_failure
2899$at_traceon; }
2900
2901{ set +x
2902$as_echo "$at_srcdir/testsuite-simple_configuration.at:66: fgrep -c \"CRITICAL: Not enough or invalid\" stderr"
2903at_fn_check_prepare_trace "testsuite-simple_configuration.at:66"
2904( $at_check_trace; fgrep -c "CRITICAL: Not enough or invalid" stderr
2905) >>"$at_stdout" 2>>"$at_stderr"
2906at_status=$? at_failed=false
2907$at_check_filter
2908echo stderr:; cat "$at_stderr"
2909echo stdout:; cat "$at_stdout"
2910at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:66"
2911$at_failed && at_fn_log_failure
2912$at_traceon; }
2913
2914{ set +x
2915$as_echo "$at_srcdir/testsuite-simple_configuration.at:67: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -b -E -c -b -a -U -T -u"
2916at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:67"
2917( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -b -E -c -b -a -U -T -u
2918) >>"$at_stdout" 2>>"$at_stderr"
2919at_status=$? at_failed=false
2920$at_check_filter
2921echo stderr:; tee stderr <"$at_stderr"
2922echo stdout:; cat "$at_stdout"
2923at_fn_check_status 255 $at_status "$at_srcdir/testsuite-simple_configuration.at:67"
2924$at_failed && at_fn_log_failure
2925$at_traceon; }
2926
2927{ set +x
2928$as_echo "$at_srcdir/testsuite-simple_configuration.at:68: fgrep -c \"CRITICAL: Not enough or invalid\" stderr"
2929at_fn_check_prepare_trace "testsuite-simple_configuration.at:68"
2930( $at_check_trace; fgrep -c "CRITICAL: Not enough or invalid" stderr
2931) >>"$at_stdout" 2>>"$at_stderr"
2932at_status=$? at_failed=false
2933$at_check_filter
2934echo stderr:; cat "$at_stderr"
2935echo stdout:; cat "$at_stdout"
2936at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:68"
2937$at_failed && at_fn_log_failure
2938$at_traceon; }
2939
2940{ set +x
2941$as_echo "$at_srcdir/testsuite-simple_configuration.at:69: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -E -c -b -a -U -T -u"
2942at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:69"
2943( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -E -c -b -a -U -T -u
2944) >>"$at_stdout" 2>>"$at_stderr"
2945at_status=$? at_failed=false
2946$at_check_filter
2947echo stderr:; tee stderr <"$at_stderr"
2948echo stdout:; cat "$at_stdout"
2949at_fn_check_status 255 $at_status "$at_srcdir/testsuite-simple_configuration.at:69"
2950$at_failed && at_fn_log_failure
2951$at_traceon; }
2952
2953{ set +x
2954$as_echo "$at_srcdir/testsuite-simple_configuration.at:70: fgrep -c \"CRITICAL: Not enough or invalid\" stderr"
2955at_fn_check_prepare_trace "testsuite-simple_configuration.at:70"
2956( $at_check_trace; fgrep -c "CRITICAL: Not enough or invalid" stderr
2957) >>"$at_stdout" 2>>"$at_stderr"
2958at_status=$? at_failed=false
2959$at_check_filter
2960echo stderr:; cat "$at_stderr"
2961echo stdout:; cat "$at_stdout"
2962at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:70"
2963$at_failed && at_fn_log_failure
2964$at_traceon; }
2965
2966{ set +x
2967$as_echo "$at_srcdir/testsuite-simple_configuration.at:71: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -c -b -a -U -T -u"
2968at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:71"
2969( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -c -b -a -U -T -u
2970) >>"$at_stdout" 2>>"$at_stderr"
2971at_status=$? at_failed=false
2972$at_check_filter
2973echo stderr:; tee stderr <"$at_stderr"
2974echo stdout:; cat "$at_stdout"
2975at_fn_check_status 255 $at_status "$at_srcdir/testsuite-simple_configuration.at:71"
2976$at_failed && at_fn_log_failure
2977$at_traceon; }
2978
2979{ set +x
2980$as_echo "$at_srcdir/testsuite-simple_configuration.at:72: fgrep -c \"CRITICAL: Not enough or invalid\" stderr"
2981at_fn_check_prepare_trace "testsuite-simple_configuration.at:72"
2982( $at_check_trace; fgrep -c "CRITICAL: Not enough or invalid" stderr
2983) >>"$at_stdout" 2>>"$at_stderr"
2984at_status=$? at_failed=false
2985$at_check_filter
2986echo stderr:; cat "$at_stderr"
2987echo stdout:; cat "$at_stdout"
2988at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:72"
2989$at_failed && at_fn_log_failure
2990$at_traceon; }
2991
2992{ set +x
2993$as_echo "$at_srcdir/testsuite-simple_configuration.at:73: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -b -a -U -T -u"
2994at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:73"
2995( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -b -a -U -T -u
2996) >>"$at_stdout" 2>>"$at_stderr"
2997at_status=$? at_failed=false
2998$at_check_filter
2999echo stderr:; tee stderr <"$at_stderr"
3000echo stdout:; cat "$at_stdout"
3001at_fn_check_status 255 $at_status "$at_srcdir/testsuite-simple_configuration.at:73"
3002$at_failed && at_fn_log_failure
3003$at_traceon; }
3004
3005{ set +x
3006$as_echo "$at_srcdir/testsuite-simple_configuration.at:74: fgrep -c \"CRITICAL: Not enough or invalid\" stderr"
3007at_fn_check_prepare_trace "testsuite-simple_configuration.at:74"
3008( $at_check_trace; fgrep -c "CRITICAL: Not enough or invalid" stderr
3009) >>"$at_stdout" 2>>"$at_stderr"
3010at_status=$? at_failed=false
3011$at_check_filter
3012echo stderr:; cat "$at_stderr"
3013echo stdout:; cat "$at_stdout"
3014at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:74"
3015$at_failed && at_fn_log_failure
3016$at_traceon; }
3017
3018{ set +x
3019$as_echo "$at_srcdir/testsuite-simple_configuration.at:75: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -a -U -T -u"
3020at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:75"
3021( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -a -U -T -u
3022) >>"$at_stdout" 2>>"$at_stderr"
3023at_status=$? at_failed=false
3024$at_check_filter
3025echo stderr:; tee stderr <"$at_stderr"
3026echo stdout:; cat "$at_stdout"
3027at_fn_check_status 255 $at_status "$at_srcdir/testsuite-simple_configuration.at:75"
3028$at_failed && at_fn_log_failure
3029$at_traceon; }
3030
3031{ set +x
3032$as_echo "$at_srcdir/testsuite-simple_configuration.at:76: fgrep -c \"CRITICAL: Not enough or invalid\" stderr"
3033at_fn_check_prepare_trace "testsuite-simple_configuration.at:76"
3034( $at_check_trace; fgrep -c "CRITICAL: Not enough or invalid" stderr
3035) >>"$at_stdout" 2>>"$at_stderr"
3036at_status=$? at_failed=false
3037$at_check_filter
3038echo stderr:; cat "$at_stderr"
3039echo stdout:; cat "$at_stdout"
3040at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:76"
3041$at_failed && at_fn_log_failure
3042$at_traceon; }
3043
3044{ set +x
3045$as_echo "$at_srcdir/testsuite-simple_configuration.at:77: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -U -T -u"
3046at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:77"
3047( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -U -T -u
3048) >>"$at_stdout" 2>>"$at_stderr"
3049at_status=$? at_failed=false
3050$at_check_filter
3051echo stderr:; tee stderr <"$at_stderr"
3052echo stdout:; cat "$at_stdout"
3053at_fn_check_status 255 $at_status "$at_srcdir/testsuite-simple_configuration.at:77"
3054$at_failed && at_fn_log_failure
3055$at_traceon; }
3056
3057{ set +x
3058$as_echo "$at_srcdir/testsuite-simple_configuration.at:78: fgrep -c \"CRITICAL: Not enough or invalid\" stderr"
3059at_fn_check_prepare_trace "testsuite-simple_configuration.at:78"
3060( $at_check_trace; fgrep -c "CRITICAL: Not enough or invalid" stderr
3061) >>"$at_stdout" 2>>"$at_stderr"
3062at_status=$? at_failed=false
3063$at_check_filter
3064echo stderr:; cat "$at_stderr"
3065echo stdout:; cat "$at_stdout"
3066at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:78"
3067$at_failed && at_fn_log_failure
3068$at_traceon; }
3069
3070{ set +x
3071$as_echo "$at_srcdir/testsuite-simple_configuration.at:79: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -T -u"
3072at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:79"
3073( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -T -u
3074) >>"$at_stdout" 2>>"$at_stderr"
3075at_status=$? at_failed=false
3076$at_check_filter
3077echo stderr:; tee stderr <"$at_stderr"
3078echo stdout:; cat "$at_stdout"
3079at_fn_check_status 255 $at_status "$at_srcdir/testsuite-simple_configuration.at:79"
3080$at_failed && at_fn_log_failure
3081$at_traceon; }
3082
3083{ set +x
3084$as_echo "$at_srcdir/testsuite-simple_configuration.at:80: fgrep -c \"CRITICAL: Not enough or invalid\" stderr"
3085at_fn_check_prepare_trace "testsuite-simple_configuration.at:80"
3086( $at_check_trace; fgrep -c "CRITICAL: Not enough or invalid" stderr
3087) >>"$at_stdout" 2>>"$at_stderr"
3088at_status=$? at_failed=false
3089$at_check_filter
3090echo stderr:; cat "$at_stderr"
3091echo stdout:; cat "$at_stdout"
3092at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:80"
3093$at_failed && at_fn_log_failure
3094$at_traceon; }
3095
3096{ set +x
3097$as_echo "$at_srcdir/testsuite-simple_configuration.at:81: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -u"
3098at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:81"
3099( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -u
3100) >>"$at_stdout" 2>>"$at_stderr"
3101at_status=$? at_failed=false
3102$at_check_filter
3103echo stderr:; tee stderr <"$at_stderr"
3104echo stdout:; cat "$at_stdout"
3105at_fn_check_status 255 $at_status "$at_srcdir/testsuite-simple_configuration.at:81"
3106$at_failed && at_fn_log_failure
3107$at_traceon; }
3108
3109{ set +x
3110$as_echo "$at_srcdir/testsuite-simple_configuration.at:82: fgrep -c \"CRITICAL: Not enough or invalid\" stderr"
3111at_fn_check_prepare_trace "testsuite-simple_configuration.at:82"
3112( $at_check_trace; fgrep -c "CRITICAL: Not enough or invalid" stderr
3113) >>"$at_stdout" 2>>"$at_stderr"
3114at_status=$? at_failed=false
3115$at_check_filter
3116echo stderr:; cat "$at_stderr"
3117echo stdout:; cat "$at_stdout"
3118at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:82"
3119$at_failed && at_fn_log_failure
3120$at_traceon; }
3121
3122 set +x
3123 $at_times_p && times >"$at_times_file"
3124) 5>&1 2>&1 | eval $at_tee_pipe
3125read at_status <"$at_status_file"
3126#AT_STOP_15
3127#AT_START_16
3128# 16. testsuite-simple_configuration.at:86: Simple configuration - BROKEN: Removing sphere of atoms
3129at_setup_line='testsuite-simple_configuration.at:86'
3130at_fn_banner 3
3131at_desc="Simple configuration - BROKEN: Removing sphere of atoms"
3132at_desc_line=" 16: $at_desc"
3133$at_quiet $as_echo_n "$at_desc_line"
3134at_xfail=no
3135echo "# -*- compilation -*-" >> "$at_group_log"
3136(
3137 $as_echo "16. testsuite-simple_configuration.at:86: testing ..."
3138 $at_traceon
3139
3140
3141{ set +x
3142$as_echo "$at_srcdir/testsuite-simple_configuration.at:88: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Simple_configuration/8/pre/test.* ."
3143at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:88"
3144( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Simple_configuration/8/pre/test.* .
3145) >>"$at_stdout" 2>>"$at_stderr"
3146at_status=$? at_failed=false
3147$at_check_filter
3148at_fn_diff_devnull "$at_stderr" || at_failed=:
3149at_fn_diff_devnull "$at_stdout" || at_failed=:
3150at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:88"
3151$at_failed && at_fn_log_failure
3152$at_traceon; }
3153
3154{ set +x
3155$as_echo "$at_srcdir/testsuite-simple_configuration.at:89: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -R 2 7."
3156at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:89"
3157( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -R 2 7.
3158) >>"$at_stdout" 2>>"$at_stderr"
3159at_status=$? at_failed=false
3160$at_check_filter
3161echo stderr:; tee stderr <"$at_stderr"
3162echo stdout:; tee stdout <"$at_stdout"
3163at_fn_check_status 134 $at_status "$at_srcdir/testsuite-simple_configuration.at:89"
3164$at_failed && at_fn_log_failure
3165$at_traceon; }
3166
3167{ set +x
3168$as_echo "$at_srcdir/testsuite-simple_configuration.at:90: file=test.conf; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Simple_configuration/8/post/\$file"
3169at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:90"
3170( $at_check_trace; file=test.conf; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Simple_configuration/8/post/$file
3171) >>"$at_stdout" 2>>"$at_stderr"
3172at_status=$? at_failed=false
3173$at_check_filter
3174echo stderr:; cat "$at_stderr"
3175echo stdout:; cat "$at_stdout"
3176at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:90"
3177$at_failed && at_fn_log_failure
3178$at_traceon; }
3179
3180 set +x
3181 $at_times_p && times >"$at_times_file"
3182) 5>&1 2>&1 | eval $at_tee_pipe
3183read at_status <"$at_status_file"
3184#AT_STOP_16
3185#AT_START_17
3186# 17. testsuite-domain.at:3: Domain - defining simulation domain
3187at_setup_line='testsuite-domain.at:3'
3188at_fn_banner 4
3189at_desc="Domain - defining simulation domain"
3190at_desc_line=" 17: $at_desc "
3191$at_quiet $as_echo_n "$at_desc_line"
3192at_xfail=no
3193echo "# -*- compilation -*-" >> "$at_group_log"
3194(
3195 $as_echo "17. testsuite-domain.at:3: testing ..."
3196 $at_traceon
3197
3198
3199{ set +x
3200$as_echo "$at_srcdir/testsuite-domain.at:5: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -B 10 0 10 0 0 10"
3201at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-domain.at:5"
3202( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -B 10 0 10 0 0 10
3203) >>"$at_stdout" 2>>"$at_stderr"
3204at_status=$? at_failed=false
3205$at_check_filter
3206echo stderr:; tee stderr <"$at_stderr"
3207echo stdout:; tee stdout <"$at_stdout"
3208at_fn_check_status 0 $at_status "$at_srcdir/testsuite-domain.at:5"
3209$at_failed && at_fn_log_failure
3210$at_traceon; }
3211
3212{ set +x
3213$as_echo "$at_srcdir/testsuite-domain.at:6: fgrep \"BoxLength\" test.conf"
3214at_fn_check_prepare_trace "testsuite-domain.at:6"
3215( $at_check_trace; fgrep "BoxLength" test.conf
3216) >>"$at_stdout" 2>>"$at_stderr"
3217at_status=$? at_failed=false
3218$at_check_filter
3219echo stderr:; tee stderr <"$at_stderr"
3220echo stdout:; tee stdout <"$at_stdout"
3221at_fn_check_status 0 $at_status "$at_srcdir/testsuite-domain.at:6"
3222$at_failed && at_fn_log_failure
3223$at_traceon; }
3224
3225{ set +x
3226$as_echo "$at_srcdir/testsuite-domain.at:7: diff test.conf \${abs_top_srcdir}/\${AUTOTEST_PATH}/Domain/1/post/test.conf"
3227at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-domain.at:7"
3228( $at_check_trace; diff test.conf ${abs_top_srcdir}/${AUTOTEST_PATH}/Domain/1/post/test.conf
3229) >>"$at_stdout" 2>>"$at_stderr"
3230at_status=$? at_failed=false
3231$at_check_filter
3232echo stderr:; tee stderr <"$at_stderr"
3233echo stdout:; tee stdout <"$at_stdout"
3234at_fn_check_status 0 $at_status "$at_srcdir/testsuite-domain.at:7"
3235$at_failed && at_fn_log_failure
3236$at_traceon; }
3237
3238 set +x
3239 $at_times_p && times >"$at_times_file"
3240) 5>&1 2>&1 | eval $at_tee_pipe
3241read at_status <"$at_status_file"
3242#AT_STOP_17
3243#AT_START_18
3244# 18. testsuite-domain.at:11: Domain - setting and centering in domain
3245at_setup_line='testsuite-domain.at:11'
3246at_fn_banner 4
3247at_desc="Domain - setting and centering in domain"
3248at_desc_line=" 18: $at_desc "
3249$at_quiet $as_echo_n "$at_desc_line"
3250at_xfail=no
3251echo "# -*- compilation -*-" >> "$at_group_log"
3252(
3253 $as_echo "18. testsuite-domain.at:11: testing ..."
3254 $at_traceon
3255
3256
3257{ set +x
3258$as_echo "$at_srcdir/testsuite-domain.at:13: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Domain/2/pre/test.conf ."
3259at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-domain.at:13"
3260( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Domain/2/pre/test.conf .
3261) >>"$at_stdout" 2>>"$at_stderr"
3262at_status=$? at_failed=false
3263$at_check_filter
3264at_fn_diff_devnull "$at_stderr" || at_failed=:
3265at_fn_diff_devnull "$at_stdout" || at_failed=:
3266at_fn_check_status 0 $at_status "$at_srcdir/testsuite-domain.at:13"
3267$at_failed && at_fn_log_failure
3268$at_traceon; }
3269
3270{ set +x
3271$as_echo "$at_srcdir/testsuite-domain.at:14: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -b 15 0 15 0 0 15"
3272at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-domain.at:14"
3273( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -b 15 0 15 0 0 15
3274) >>"$at_stdout" 2>>"$at_stderr"
3275at_status=$? at_failed=false
3276$at_check_filter
3277echo stderr:; tee stderr <"$at_stderr"
3278echo stdout:; tee stdout <"$at_stdout"
3279at_fn_check_status 0 $at_status "$at_srcdir/testsuite-domain.at:14"
3280$at_failed && at_fn_log_failure
3281$at_traceon; }
3282
3283{ set +x
3284$as_echo "$at_srcdir/testsuite-domain.at:15: diff test.conf \${abs_top_srcdir}/\${AUTOTEST_PATH}/Domain/2/post/test.conf"
3285at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-domain.at:15"
3286( $at_check_trace; diff test.conf ${abs_top_srcdir}/${AUTOTEST_PATH}/Domain/2/post/test.conf
3287) >>"$at_stdout" 2>>"$at_stderr"
3288at_status=$? at_failed=false
3289$at_check_filter
3290echo stderr:; tee stderr <"$at_stderr"
3291echo stdout:; tee stdout <"$at_stdout"
3292at_fn_check_status 0 $at_status "$at_srcdir/testsuite-domain.at:15"
3293$at_failed && at_fn_log_failure
3294$at_traceon; }
3295
3296 set +x
3297 $at_times_p && times >"$at_times_file"
3298) 5>&1 2>&1 | eval $at_tee_pipe
3299read at_status <"$at_status_file"
3300#AT_STOP_18
3301#AT_START_19
3302# 19. testsuite-domain.at:19: Domain - centering with defined boundary
3303at_setup_line='testsuite-domain.at:19'
3304at_fn_banner 4
3305at_desc="Domain - centering with defined boundary"
3306at_desc_line=" 19: $at_desc "
3307$at_quiet $as_echo_n "$at_desc_line"
3308at_xfail=no
3309echo "# -*- compilation -*-" >> "$at_group_log"
3310(
3311 $as_echo "19. testsuite-domain.at:19: testing ..."
3312 $at_traceon
3313
3314
3315{ set +x
3316$as_echo "$at_srcdir/testsuite-domain.at:21: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Domain/3/pre/test.conf ."
3317at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-domain.at:21"
3318( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Domain/3/pre/test.conf .
3319) >>"$at_stdout" 2>>"$at_stderr"
3320at_status=$? at_failed=false
3321$at_check_filter
3322at_fn_diff_devnull "$at_stderr" || at_failed=:
3323at_fn_diff_devnull "$at_stdout" || at_failed=:
3324at_fn_check_status 0 $at_status "$at_srcdir/testsuite-domain.at:21"
3325$at_failed && at_fn_log_failure
3326$at_traceon; }
3327
3328{ set +x
3329$as_echo "$at_srcdir/testsuite-domain.at:22: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -c 5 10 15"
3330at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-domain.at:22"
3331( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -c 5 10 15
3332) >>"$at_stdout" 2>>"$at_stderr"
3333at_status=$? at_failed=false
3334$at_check_filter
3335echo stderr:; tee stderr <"$at_stderr"
3336echo stdout:; tee stdout <"$at_stdout"
3337at_fn_check_status 0 $at_status "$at_srcdir/testsuite-domain.at:22"
3338$at_failed && at_fn_log_failure
3339$at_traceon; }
3340
3341{ set +x
3342$as_echo "$at_srcdir/testsuite-domain.at:23: diff test.conf \${abs_top_srcdir}/\${AUTOTEST_PATH}/Domain/3/post/test.conf"
3343at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-domain.at:23"
3344( $at_check_trace; diff test.conf ${abs_top_srcdir}/${AUTOTEST_PATH}/Domain/3/post/test.conf
3345) >>"$at_stdout" 2>>"$at_stderr"
3346at_status=$? at_failed=false
3347$at_check_filter
3348echo stderr:; tee stderr <"$at_stderr"
3349echo stdout:; tee stdout <"$at_stdout"
3350at_fn_check_status 0 $at_status "$at_srcdir/testsuite-domain.at:23"
3351$at_failed && at_fn_log_failure
3352$at_traceon; }
3353
3354 set +x
3355 $at_times_p && times >"$at_times_file"
3356) 5>&1 2>&1 | eval $at_tee_pipe
3357read at_status <"$at_status_file"
3358#AT_STOP_19
3359#AT_START_20
3360# 20. testsuite-domain.at:27: Domain - centering and setting domain
3361at_setup_line='testsuite-domain.at:27'
3362at_fn_banner 4
3363at_desc="Domain - centering and setting domain"
3364at_desc_line=" 20: $at_desc "
3365$at_quiet $as_echo_n "$at_desc_line"
3366at_xfail=no
3367echo "# -*- compilation -*-" >> "$at_group_log"
3368(
3369 $as_echo "20. testsuite-domain.at:27: testing ..."
3370 $at_traceon
3371
3372
3373{ set +x
3374$as_echo "$at_srcdir/testsuite-domain.at:29: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Domain/4/pre/test.conf ."
3375at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-domain.at:29"
3376( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Domain/4/pre/test.conf .
3377) >>"$at_stdout" 2>>"$at_stderr"
3378at_status=$? at_failed=false
3379$at_check_filter
3380at_fn_diff_devnull "$at_stderr" || at_failed=:
3381at_fn_diff_devnull "$at_stdout" || at_failed=:
3382at_fn_check_status 0 $at_status "$at_srcdir/testsuite-domain.at:29"
3383$at_failed && at_fn_log_failure
3384$at_traceon; }
3385
3386{ set +x
3387$as_echo "$at_srcdir/testsuite-domain.at:30: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -O"
3388at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-domain.at:30"
3389( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -O
3390) >>"$at_stdout" 2>>"$at_stderr"
3391at_status=$? at_failed=false
3392$at_check_filter
3393echo stderr:; tee stderr <"$at_stderr"
3394echo stdout:; tee stdout <"$at_stdout"
3395at_fn_check_status 0 $at_status "$at_srcdir/testsuite-domain.at:30"
3396$at_failed && at_fn_log_failure
3397$at_traceon; }
3398
3399{ set +x
3400$as_echo "$at_srcdir/testsuite-domain.at:31: diff test.conf \${abs_top_srcdir}/\${AUTOTEST_PATH}/Domain/4/post/test.conf"
3401at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-domain.at:31"
3402( $at_check_trace; diff test.conf ${abs_top_srcdir}/${AUTOTEST_PATH}/Domain/4/post/test.conf
3403) >>"$at_stdout" 2>>"$at_stderr"
3404at_status=$? at_failed=false
3405$at_check_filter
3406echo stderr:; tee stderr <"$at_stderr"
3407echo stdout:; tee stdout <"$at_stdout"
3408at_fn_check_status 0 $at_status "$at_srcdir/testsuite-domain.at:31"
3409$at_failed && at_fn_log_failure
3410$at_traceon; }
3411
3412 set +x
3413 $at_times_p && times >"$at_times_file"
3414) 5>&1 2>&1 | eval $at_tee_pipe
3415read at_status <"$at_status_file"
3416#AT_STOP_20
3417#AT_START_21
3418# 21. testsuite-domain.at:35: Domain - scaling box
3419at_setup_line='testsuite-domain.at:35'
3420at_fn_banner 4
3421at_desc="Domain - scaling box"
3422at_desc_line=" 21: $at_desc "
3423$at_quiet $as_echo_n "$at_desc_line"
3424at_xfail=no
3425echo "# -*- compilation -*-" >> "$at_group_log"
3426(
3427 $as_echo "21. testsuite-domain.at:35: testing ..."
3428 $at_traceon
3429
3430
3431{ set +x
3432$as_echo "$at_srcdir/testsuite-domain.at:37: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Domain/5/pre/test.conf ."
3433at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-domain.at:37"
3434( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Domain/5/pre/test.conf .
3435) >>"$at_stdout" 2>>"$at_stderr"
3436at_status=$? at_failed=false
3437$at_check_filter
3438at_fn_diff_devnull "$at_stderr" || at_failed=:
3439at_fn_diff_devnull "$at_stdout" || at_failed=:
3440at_fn_check_status 0 $at_status "$at_srcdir/testsuite-domain.at:37"
3441$at_failed && at_fn_log_failure
3442$at_traceon; }
3443
3444{ set +x
3445$as_echo "$at_srcdir/testsuite-domain.at:38: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -s 0.5 1. 0.9"
3446at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-domain.at:38"
3447( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -s 0.5 1. 0.9
3448) >>"$at_stdout" 2>>"$at_stderr"
3449at_status=$? at_failed=false
3450$at_check_filter
3451echo stderr:; tee stderr <"$at_stderr"
3452echo stdout:; tee stdout <"$at_stdout"
3453at_fn_check_status 0 $at_status "$at_srcdir/testsuite-domain.at:38"
3454$at_failed && at_fn_log_failure
3455$at_traceon; }
3456
3457{ set +x
3458$as_echo "$at_srcdir/testsuite-domain.at:39: diff test.conf \${abs_top_srcdir}/\${AUTOTEST_PATH}/Domain/5/post/test.conf"
3459at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-domain.at:39"
3460( $at_check_trace; diff test.conf ${abs_top_srcdir}/${AUTOTEST_PATH}/Domain/5/post/test.conf
3461) >>"$at_stdout" 2>>"$at_stderr"
3462at_status=$? at_failed=false
3463$at_check_filter
3464echo stderr:; tee stderr <"$at_stderr"
3465echo stdout:; tee stdout <"$at_stdout"
3466at_fn_check_status 0 $at_status "$at_srcdir/testsuite-domain.at:39"
3467$at_failed && at_fn_log_failure
3468$at_traceon; }
3469
3470 set +x
3471 $at_times_p && times >"$at_times_file"
3472) 5>&1 2>&1 | eval $at_tee_pipe
3473read at_status <"$at_status_file"
3474#AT_STOP_21
3475#AT_START_22
3476# 22. testsuite-domain.at:43: Domain - duplicating box
3477at_setup_line='testsuite-domain.at:43'
3478at_fn_banner 4
3479at_desc="Domain - duplicating box"
3480at_desc_line=" 22: $at_desc "
3481$at_quiet $as_echo_n "$at_desc_line"
3482at_xfail=no
3483echo "# -*- compilation -*-" >> "$at_group_log"
3484(
3485 $as_echo "22. testsuite-domain.at:43: testing ..."
3486 $at_traceon
3487
3488
3489{ set +x
3490$as_echo "$at_srcdir/testsuite-domain.at:45: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Domain/6/pre/test.conf ."
3491at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-domain.at:45"
3492( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Domain/6/pre/test.conf .
3493) >>"$at_stdout" 2>>"$at_stderr"
3494at_status=$? at_failed=false
3495$at_check_filter
3496at_fn_diff_devnull "$at_stderr" || at_failed=:
3497at_fn_diff_devnull "$at_stdout" || at_failed=:
3498at_fn_check_status 0 $at_status "$at_srcdir/testsuite-domain.at:45"
3499$at_failed && at_fn_log_failure
3500$at_traceon; }
3501
3502{ set +x
3503$as_echo "$at_srcdir/testsuite-domain.at:46: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -d 1 1 1"
3504at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-domain.at:46"
3505( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -d 1 1 1
3506) >>"$at_stdout" 2>>"$at_stderr"
3507at_status=$? at_failed=false
3508$at_check_filter
3509echo stderr:; tee stderr <"$at_stderr"
3510echo stdout:; tee stdout <"$at_stdout"
3511at_fn_check_status 0 $at_status "$at_srcdir/testsuite-domain.at:46"
3512$at_failed && at_fn_log_failure
3513$at_traceon; }
3514
3515{ set +x
3516$as_echo "$at_srcdir/testsuite-domain.at:47: diff test.conf \${abs_top_srcdir}/\${AUTOTEST_PATH}/Domain/6/post/test.conf"
3517at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-domain.at:47"
3518( $at_check_trace; diff test.conf ${abs_top_srcdir}/${AUTOTEST_PATH}/Domain/6/post/test.conf
3519) >>"$at_stdout" 2>>"$at_stderr"
3520at_status=$? at_failed=false
3521$at_check_filter
3522echo stderr:; tee stderr <"$at_stderr"
3523echo stdout:; tee stdout <"$at_stdout"
3524at_fn_check_status 0 $at_status "$at_srcdir/testsuite-domain.at:47"
3525$at_failed && at_fn_log_failure
3526$at_traceon; }
3527
3528{ set +x
3529$as_echo "$at_srcdir/testsuite-domain.at:48: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Domain/6/pre/test.conf ."
3530at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-domain.at:48"
3531( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Domain/6/pre/test.conf .
3532) >>"$at_stdout" 2>>"$at_stderr"
3533at_status=$? at_failed=false
3534$at_check_filter
3535at_fn_diff_devnull "$at_stderr" || at_failed=:
3536at_fn_diff_devnull "$at_stdout" || at_failed=:
3537at_fn_check_status 0 $at_status "$at_srcdir/testsuite-domain.at:48"
3538$at_failed && at_fn_log_failure
3539$at_traceon; }
3540
3541{ set +x
3542$as_echo "$at_srcdir/testsuite-domain.at:49: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -d 2 1 1"
3543at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-domain.at:49"
3544( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -d 2 1 1
3545) >>"$at_stdout" 2>>"$at_stderr"
3546at_status=$? at_failed=false
3547$at_check_filter
3548echo stderr:; tee stderr <"$at_stderr"
3549echo stdout:; tee stdout <"$at_stdout"
3550at_fn_check_status 0 $at_status "$at_srcdir/testsuite-domain.at:49"
3551$at_failed && at_fn_log_failure
3552$at_traceon; }
3553
3554{ set +x
3555$as_echo "$at_srcdir/testsuite-domain.at:50: diff test.conf \${abs_top_srcdir}/\${AUTOTEST_PATH}/Domain/6/post/test-x.conf"
3556at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-domain.at:50"
3557( $at_check_trace; diff test.conf ${abs_top_srcdir}/${AUTOTEST_PATH}/Domain/6/post/test-x.conf
3558) >>"$at_stdout" 2>>"$at_stderr"
3559at_status=$? at_failed=false
3560$at_check_filter
3561echo stderr:; tee stderr <"$at_stderr"
3562echo stdout:; tee stdout <"$at_stdout"
3563at_fn_check_status 0 $at_status "$at_srcdir/testsuite-domain.at:50"
3564$at_failed && at_fn_log_failure
3565$at_traceon; }
3566
3567{ set +x
3568$as_echo "$at_srcdir/testsuite-domain.at:51: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Domain/6/pre/test.conf ."
3569at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-domain.at:51"
3570( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Domain/6/pre/test.conf .
3571) >>"$at_stdout" 2>>"$at_stderr"
3572at_status=$? at_failed=false
3573$at_check_filter
3574at_fn_diff_devnull "$at_stderr" || at_failed=:
3575at_fn_diff_devnull "$at_stdout" || at_failed=:
3576at_fn_check_status 0 $at_status "$at_srcdir/testsuite-domain.at:51"
3577$at_failed && at_fn_log_failure
3578$at_traceon; }
3579
3580{ set +x
3581$as_echo "$at_srcdir/testsuite-domain.at:52: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -d 1 2 1"
3582at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-domain.at:52"
3583( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -d 1 2 1
3584) >>"$at_stdout" 2>>"$at_stderr"
3585at_status=$? at_failed=false
3586$at_check_filter
3587echo stderr:; tee stderr <"$at_stderr"
3588echo stdout:; tee stdout <"$at_stdout"
3589at_fn_check_status 0 $at_status "$at_srcdir/testsuite-domain.at:52"
3590$at_failed && at_fn_log_failure
3591$at_traceon; }
3592
3593{ set +x
3594$as_echo "$at_srcdir/testsuite-domain.at:53: diff test.conf \${abs_top_srcdir}/\${AUTOTEST_PATH}/Domain/6/post/test-y.conf"
3595at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-domain.at:53"
3596( $at_check_trace; diff test.conf ${abs_top_srcdir}/${AUTOTEST_PATH}/Domain/6/post/test-y.conf
3597) >>"$at_stdout" 2>>"$at_stderr"
3598at_status=$? at_failed=false
3599$at_check_filter
3600echo stderr:; tee stderr <"$at_stderr"
3601echo stdout:; tee stdout <"$at_stdout"
3602at_fn_check_status 0 $at_status "$at_srcdir/testsuite-domain.at:53"
3603$at_failed && at_fn_log_failure
3604$at_traceon; }
3605
3606{ set +x
3607$as_echo "$at_srcdir/testsuite-domain.at:54: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Domain/6/pre/test.conf ."
3608at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-domain.at:54"
3609( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Domain/6/pre/test.conf .
3610) >>"$at_stdout" 2>>"$at_stderr"
3611at_status=$? at_failed=false
3612$at_check_filter
3613at_fn_diff_devnull "$at_stderr" || at_failed=:
3614at_fn_diff_devnull "$at_stdout" || at_failed=:
3615at_fn_check_status 0 $at_status "$at_srcdir/testsuite-domain.at:54"
3616$at_failed && at_fn_log_failure
3617$at_traceon; }
3618
3619{ set +x
3620$as_echo "$at_srcdir/testsuite-domain.at:55: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -d 1 1 2"
3621at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-domain.at:55"
3622( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -d 1 1 2
3623) >>"$at_stdout" 2>>"$at_stderr"
3624at_status=$? at_failed=false
3625$at_check_filter
3626echo stderr:; tee stderr <"$at_stderr"
3627echo stdout:; tee stdout <"$at_stdout"
3628at_fn_check_status 0 $at_status "$at_srcdir/testsuite-domain.at:55"
3629$at_failed && at_fn_log_failure
3630$at_traceon; }
3631
3632{ set +x
3633$as_echo "$at_srcdir/testsuite-domain.at:56: diff test.conf \${abs_top_srcdir}/\${AUTOTEST_PATH}/Domain/6/post/test-z.conf"
3634at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-domain.at:56"
3635( $at_check_trace; diff test.conf ${abs_top_srcdir}/${AUTOTEST_PATH}/Domain/6/post/test-z.conf
3636) >>"$at_stdout" 2>>"$at_stderr"
3637at_status=$? at_failed=false
3638$at_check_filter
3639echo stderr:; tee stderr <"$at_stderr"
3640echo stdout:; tee stdout <"$at_stdout"
3641at_fn_check_status 0 $at_status "$at_srcdir/testsuite-domain.at:56"
3642$at_failed && at_fn_log_failure
3643$at_traceon; }
3644
3645 set +x
3646 $at_times_p && times >"$at_times_file"
3647) 5>&1 2>&1 | eval $at_tee_pipe
3648read at_status <"$at_status_file"
3649#AT_STOP_22
3650#AT_START_23
3651# 23. testsuite-graph.at:3: Graph - DFS analysis
3652at_setup_line='testsuite-graph.at:3'
3653at_fn_banner 5
3654at_desc="Graph - DFS analysis"
3655at_desc_line=" 23: $at_desc "
3656$at_quiet $as_echo_n "$at_desc_line"
3657at_xfail=no
3658echo "# -*- compilation -*-" >> "$at_group_log"
3659(
3660 $as_echo "23. testsuite-graph.at:3: testing ..."
3661 $at_traceon
3662
3663
3664{ set +x
3665$as_echo "$at_srcdir/testsuite-graph.at:5: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Graph/1/pre/test.conf ."
3666at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-graph.at:5"
3667( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Graph/1/pre/test.conf .
3668) >>"$at_stdout" 2>>"$at_stderr"
3669at_status=$? at_failed=false
3670$at_check_filter
3671at_fn_diff_devnull "$at_stderr" || at_failed=:
3672at_fn_diff_devnull "$at_stdout" || at_failed=:
3673at_fn_check_status 0 $at_status "$at_srcdir/testsuite-graph.at:5"
3674$at_failed && at_fn_log_failure
3675$at_traceon; }
3676
3677{ set +x
3678$as_echo "$at_srcdir/testsuite-graph.at:6: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -v 3 -D 2."
3679at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-graph.at:6"
3680( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -v 3 -D 2.
3681) >>"$at_stdout" 2>>"$at_stderr"
3682at_status=$? at_failed=false
3683$at_check_filter
3684echo stderr:; tee stderr <"$at_stderr"
3685echo stdout:; tee stdout <"$at_stdout"
3686at_fn_check_status 0 $at_status "$at_srcdir/testsuite-graph.at:6"
3687$at_failed && at_fn_log_failure
3688$at_traceon; }
3689
3690{ set +x
3691$as_echo "$at_srcdir/testsuite-graph.at:7: fgrep -c \"No rings were detected in the molecular structure.\" stdout"
3692at_fn_check_prepare_trace "testsuite-graph.at:7"
3693( $at_check_trace; fgrep -c "No rings were detected in the molecular structure." stdout
3694) >>"$at_stdout" 2>>"$at_stderr"
3695at_status=$? at_failed=false
3696$at_check_filter
3697echo stderr:; cat "$at_stderr"
3698echo >>"$at_stdout"; $as_echo "1
3699" | \
3700 $at_diff - "$at_stdout" || at_failed=:
3701at_fn_check_status 0 $at_status "$at_srcdir/testsuite-graph.at:7"
3702$at_failed && at_fn_log_failure
3703$at_traceon; }
3704
3705 set +x
3706 $at_times_p && times >"$at_times_file"
3707) 5>&1 2>&1 | eval $at_tee_pipe
3708read at_status <"$at_status_file"
3709#AT_STOP_23
3710#AT_START_24
3711# 24. testsuite-graph.at:11: Graph - subgraph dissection
3712at_setup_line='testsuite-graph.at:11'
3713at_fn_banner 5
3714at_desc="Graph - subgraph dissection"
3715at_desc_line=" 24: $at_desc "
3716$at_quiet $as_echo_n "$at_desc_line"
3717at_xfail=no
3718echo "# -*- compilation -*-" >> "$at_group_log"
3719(
3720 $as_echo "24. testsuite-graph.at:11: testing ..."
3721 $at_traceon
3722
3723
3724{ set +x
3725$as_echo "$at_srcdir/testsuite-graph.at:13: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Graph/2/pre/test.conf ."
3726at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-graph.at:13"
3727( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Graph/2/pre/test.conf .
3728) >>"$at_stdout" 2>>"$at_stderr"
3729at_status=$? at_failed=false
3730$at_check_filter
3731at_fn_diff_devnull "$at_stderr" || at_failed=:
3732at_fn_diff_devnull "$at_stdout" || at_failed=:
3733at_fn_check_status 0 $at_status "$at_srcdir/testsuite-graph.at:13"
3734$at_failed && at_fn_log_failure
3735$at_traceon; }
3736
3737{ set +x
3738$as_echo "$at_srcdir/testsuite-graph.at:14: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -v 3 -I"
3739at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-graph.at:14"
3740( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -v 3 -I
3741) >>"$at_stdout" 2>>"$at_stderr"
3742at_status=$? at_failed=false
3743$at_check_filter
3744echo stderr:; tee stderr <"$at_stderr"
3745echo stdout:; tee stdout <"$at_stdout"
3746at_fn_check_status 0 $at_status "$at_srcdir/testsuite-graph.at:14"
3747$at_failed && at_fn_log_failure
3748$at_traceon; }
3749
3750{ set +x
3751$as_echo "$at_srcdir/testsuite-graph.at:15: fgrep \"I scanned 31 molecules.\" stdout"
3752at_fn_check_prepare_trace "testsuite-graph.at:15"
3753( $at_check_trace; fgrep "I scanned 31 molecules." stdout
3754) >>"$at_stdout" 2>>"$at_stderr"
3755at_status=$? at_failed=false
3756$at_check_filter
3757echo stderr:; cat "$at_stderr"
3758echo stdout:; cat "$at_stdout"
3759at_fn_check_status 0 $at_status "$at_srcdir/testsuite-graph.at:15"
3760$at_failed && at_fn_log_failure
3761$at_traceon; }
3762
3763 set +x
3764 $at_times_p && times >"$at_times_file"
3765) 5>&1 2>&1 | eval $at_tee_pipe
3766read at_status <"$at_status_file"
3767#AT_STOP_24
3768#AT_START_25
3769# 25. testsuite-molecules.at:3: Molecules - Bonds from file
3770at_setup_line='testsuite-molecules.at:3'
3771at_fn_banner 6
3772at_desc="Molecules - Bonds from file"
3773at_desc_line=" 25: $at_desc "
3774$at_quiet $as_echo_n "$at_desc_line"
3775at_xfail=no
3776echo "# -*- compilation -*-" >> "$at_group_log"
3777(
3778 $as_echo "25. testsuite-molecules.at:3: testing ..."
3779 $at_traceon
3780
3781
3782{ set +x
3783$as_echo "$at_srcdir/testsuite-molecules.at:5: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Molecules/1/pre/test.* ."
3784at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-molecules.at:5"
3785( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/1/pre/test.* .
3786) >>"$at_stdout" 2>>"$at_stderr"
3787at_status=$? at_failed=false
3788$at_check_filter
3789at_fn_diff_devnull "$at_stderr" || at_failed=:
3790at_fn_diff_devnull "$at_stdout" || at_failed=:
3791at_fn_check_status 0 $at_status "$at_srcdir/testsuite-molecules.at:5"
3792$at_failed && at_fn_log_failure
3793$at_traceon; }
3794
3795{ set +x
3796$as_echo "$at_srcdir/testsuite-molecules.at:6: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -v 4 -A test.dbond"
3797at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-molecules.at:6"
3798( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -v 4 -A test.dbond
3799) >>"$at_stdout" 2>>"$at_stderr"
3800at_status=$? at_failed=false
3801$at_check_filter
3802echo stderr:; tee stderr <"$at_stderr"
3803echo stdout:; tee stdout <"$at_stdout"
3804at_fn_check_status 0 $at_status "$at_srcdir/testsuite-molecules.at:6"
3805$at_failed && at_fn_log_failure
3806$at_traceon; }
3807
3808{ set +x
3809$as_echo "$at_srcdir/testsuite-molecules.at:7: fgrep \"Looking for atoms 2 and 9.\" stdout"
3810at_fn_check_prepare_trace "testsuite-molecules.at:7"
3811( $at_check_trace; fgrep "Looking for atoms 2 and 9." stdout
3812) >>"$at_stdout" 2>>"$at_stderr"
3813at_status=$? at_failed=false
3814$at_check_filter
3815echo stderr:; cat "$at_stderr"
3816echo stdout:; cat "$at_stdout"
3817at_fn_check_status 0 $at_status "$at_srcdir/testsuite-molecules.at:7"
3818$at_failed && at_fn_log_failure
3819$at_traceon; }
3820
3821 set +x
3822 $at_times_p && times >"$at_times_file"
3823) 5>&1 2>&1 | eval $at_tee_pipe
3824read at_status <"$at_status_file"
3825#AT_STOP_25
3826#AT_START_26
3827# 26. testsuite-molecules.at:11: Molecules - Storing bond info
3828at_setup_line='testsuite-molecules.at:11'
3829at_fn_banner 6
3830at_desc="Molecules - Storing bond info"
3831at_desc_line=" 26: $at_desc "
3832$at_quiet $as_echo_n "$at_desc_line"
3833at_xfail=no
3834echo "# -*- compilation -*-" >> "$at_group_log"
3835(
3836 $as_echo "26. testsuite-molecules.at:11: testing ..."
3837 $at_traceon
3838
3839
3840{ set +x
3841$as_echo "$at_srcdir/testsuite-molecules.at:13: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Molecules/2/pre/test.conf ."
3842at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-molecules.at:13"
3843( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/2/pre/test.conf .
3844) >>"$at_stdout" 2>>"$at_stderr"
3845at_status=$? at_failed=false
3846$at_check_filter
3847at_fn_diff_devnull "$at_stderr" || at_failed=:
3848at_fn_diff_devnull "$at_stdout" || at_failed=:
3849at_fn_check_status 0 $at_status "$at_srcdir/testsuite-molecules.at:13"
3850$at_failed && at_fn_log_failure
3851$at_traceon; }
3852
3853{ set +x
3854$as_echo "$at_srcdir/testsuite-molecules.at:14: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -v 1 -j test.dbond"
3855at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-molecules.at:14"
3856( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -v 1 -j test.dbond
3857) >>"$at_stdout" 2>>"$at_stderr"
3858at_status=$? at_failed=false
3859$at_check_filter
3860echo stderr:; tee stderr <"$at_stderr"
3861echo stdout:; tee stdout <"$at_stdout"
3862at_fn_check_status 0 $at_status "$at_srcdir/testsuite-molecules.at:14"
3863$at_failed && at_fn_log_failure
3864$at_traceon; }
3865
3866{ set +x
3867$as_echo "$at_srcdir/testsuite-molecules.at:15: file=test.dbond; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Molecules/2/post/\$file"
3868at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-molecules.at:15"
3869( $at_check_trace; file=test.dbond; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/2/post/$file
3870) >>"$at_stdout" 2>>"$at_stderr"
3871at_status=$? at_failed=false
3872$at_check_filter
3873echo stderr:; cat "$at_stderr"
3874echo stdout:; cat "$at_stdout"
3875at_fn_check_status 0 $at_status "$at_srcdir/testsuite-molecules.at:15"
3876$at_failed && at_fn_log_failure
3877$at_traceon; }
3878
3879{ set +x
3880$as_echo "$at_srcdir/testsuite-molecules.at:16: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -v 1 -J test.adj"
3881at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-molecules.at:16"
3882( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -v 1 -J test.adj
3883) >>"$at_stdout" 2>>"$at_stderr"
3884at_status=$? at_failed=false
3885$at_check_filter
3886echo stderr:; tee stderr <"$at_stderr"
3887echo stdout:; tee stdout <"$at_stdout"
3888at_fn_check_status 0 $at_status "$at_srcdir/testsuite-molecules.at:16"
3889$at_failed && at_fn_log_failure
3890$at_traceon; }
3891
3892{ set +x
3893$as_echo "$at_srcdir/testsuite-molecules.at:17: file=test.adj; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Molecules/2/post/\$file"
3894at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-molecules.at:17"
3895( $at_check_trace; file=test.adj; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/2/post/$file
3896) >>"$at_stdout" 2>>"$at_stderr"
3897at_status=$? at_failed=false
3898$at_check_filter
3899echo stderr:; cat "$at_stderr"
3900echo stdout:; cat "$at_stdout"
3901at_fn_check_status 0 $at_status "$at_srcdir/testsuite-molecules.at:17"
3902$at_failed && at_fn_log_failure
3903$at_traceon; }
3904
3905 set +x
3906 $at_times_p && times >"$at_times_file"
3907) 5>&1 2>&1 | eval $at_tee_pipe
3908read at_status <"$at_status_file"
3909#AT_STOP_26
3910#AT_START_27
3911# 27. testsuite-molecules.at:21: Molecules - Storing temperature
3912at_setup_line='testsuite-molecules.at:21'
3913at_fn_banner 6
3914at_desc="Molecules - Storing temperature"
3915at_desc_line=" 27: $at_desc "
3916$at_quiet $as_echo_n "$at_desc_line"
3917at_xfail=no
3918echo "# -*- compilation -*-" >> "$at_group_log"
3919(
3920 $as_echo "27. testsuite-molecules.at:21: testing ..."
3921 $at_traceon
3922
3923
3924{ set +x
3925$as_echo "$at_srcdir/testsuite-molecules.at:23: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Molecules/3/pre/test.conf ."
3926at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-molecules.at:23"
3927( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/3/pre/test.conf .
3928) >>"$at_stdout" 2>>"$at_stderr"
3929at_status=$? at_failed=false
3930$at_check_filter
3931at_fn_diff_devnull "$at_stderr" || at_failed=:
3932at_fn_diff_devnull "$at_stdout" || at_failed=:
3933at_fn_check_status 0 $at_status "$at_srcdir/testsuite-molecules.at:23"
3934$at_failed && at_fn_log_failure
3935$at_traceon; }
3936
3937{ set +x
3938$as_echo "$at_srcdir/testsuite-molecules.at:24: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -S test.ekin"
3939at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-molecules.at:24"
3940( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -S test.ekin
3941) >>"$at_stdout" 2>>"$at_stderr"
3942at_status=$? at_failed=false
3943$at_check_filter
3944echo stderr:; tee stderr <"$at_stderr"
3945echo stdout:; tee stdout <"$at_stdout"
3946at_fn_check_status 0 $at_status "$at_srcdir/testsuite-molecules.at:24"
3947$at_failed && at_fn_log_failure
3948$at_traceon; }
3949
3950{ set +x
3951$as_echo "$at_srcdir/testsuite-molecules.at:25: file=test.ekin; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Molecules/3/post/\$file"
3952at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-molecules.at:25"
3953( $at_check_trace; file=test.ekin; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/3/post/$file
3954) >>"$at_stdout" 2>>"$at_stderr"
3955at_status=$? at_failed=false
3956$at_check_filter
3957echo stderr:; cat "$at_stderr"
3958echo stdout:; cat "$at_stdout"
3959at_fn_check_status 0 $at_status "$at_srcdir/testsuite-molecules.at:25"
3960$at_failed && at_fn_log_failure
3961$at_traceon; }
3962
3963 set +x
3964 $at_times_p && times >"$at_times_file"
3965) 5>&1 2>&1 | eval $at_tee_pipe
3966read at_status <"$at_status_file"
3967#AT_STOP_27
3968#AT_START_28
3969# 28. testsuite-molecules.at:29: Molecules - BROKEN: Linear interpolation
3970at_setup_line='testsuite-molecules.at:29'
3971at_fn_banner 6
3972at_desc="Molecules - BROKEN: Linear interpolation"
3973at_desc_line=" 28: $at_desc "
3974$at_quiet $as_echo_n "$at_desc_line"
3975at_xfail=no
3976echo "# -*- compilation -*-" >> "$at_group_log"
3977(
3978 $as_echo "28. testsuite-molecules.at:29: testing ..."
3979 $at_traceon
3980
3981
3982{ set +x
3983$as_echo "$at_srcdir/testsuite-molecules.at:31: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Molecules/4/pre/test.conf ."
3984at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-molecules.at:31"
3985( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/4/pre/test.conf .
3986) >>"$at_stdout" 2>>"$at_stderr"
3987at_status=$? at_failed=false
3988$at_check_filter
3989at_fn_diff_devnull "$at_stderr" || at_failed=:
3990at_fn_diff_devnull "$at_stdout" || at_failed=:
3991at_fn_check_status 0 $at_status "$at_srcdir/testsuite-molecules.at:31"
3992$at_failed && at_fn_log_failure
3993$at_traceon; }
3994
3995{ set +x
3996$as_echo "$at_srcdir/testsuite-molecules.at:32: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -L 0 1 teststep 1"
3997at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-molecules.at:32"
3998( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -L 0 1 teststep 1
3999) >>"$at_stdout" 2>>"$at_stderr"
4000at_status=$? at_failed=false
4001$at_check_filter
4002echo stderr:; tee stderr <"$at_stderr"
4003echo stdout:; tee stdout <"$at_stdout"
4004at_fn_check_status 0 $at_status "$at_srcdir/testsuite-molecules.at:32"
4005$at_failed && at_fn_log_failure
4006$at_traceon; }
4007
4008 set +x
4009 $at_times_p && times >"$at_times_file"
4010) 5>&1 2>&1 | eval $at_tee_pipe
4011read at_status <"$at_status_file"
4012#AT_STOP_28
4013#AT_START_29
4014# 29. testsuite-molecules.at:36: Molecules - BROKEN: Verlet force integration
4015at_setup_line='testsuite-molecules.at:36'
4016at_fn_banner 6
4017at_desc="Molecules - BROKEN: Verlet force integration"
4018at_desc_line=" 29: $at_desc "
4019$at_quiet $as_echo_n "$at_desc_line"
4020at_xfail=no
4021echo "# -*- compilation -*-" >> "$at_group_log"
4022(
4023 $as_echo "29. testsuite-molecules.at:36: testing ..."
4024 $at_traceon
4025
4026
4027{ set +x
4028$as_echo "$at_srcdir/testsuite-molecules.at:38: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Molecules/5/pre/test.* ."
4029at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-molecules.at:38"
4030( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/5/pre/test.* .
4031) >>"$at_stdout" 2>>"$at_stderr"
4032at_status=$? at_failed=false
4033$at_check_filter
4034at_fn_diff_devnull "$at_stderr" || at_failed=:
4035at_fn_diff_devnull "$at_stdout" || at_failed=:
4036at_fn_check_status 0 $at_status "$at_srcdir/testsuite-molecules.at:38"
4037$at_failed && at_fn_log_failure
4038$at_traceon; }
4039
4040{ set +x
4041$as_echo "$at_srcdir/testsuite-molecules.at:39: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -P test.forces"
4042at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-molecules.at:39"
4043( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -P test.forces
4044) >>"$at_stdout" 2>>"$at_stderr"
4045at_status=$? at_failed=false
4046$at_check_filter
4047echo stderr:; tee stderr <"$at_stderr"
4048echo stdout:; tee stdout <"$at_stdout"
4049at_fn_check_status 134 $at_status "$at_srcdir/testsuite-molecules.at:39"
4050$at_failed && at_fn_log_failure
4051$at_traceon; }
4052
4053#AT_CHECK([file=test.conf; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/5/post/$file], 0, [ignore], [ignore])
4054 set +x
4055 $at_times_p && times >"$at_times_file"
4056) 5>&1 2>&1 | eval $at_tee_pipe
4057read at_status <"$at_status_file"
4058#AT_STOP_29
4059#AT_START_30
4060# 30. testsuite-molecules.at:44: Molecules - Translation
4061at_setup_line='testsuite-molecules.at:44'
4062at_fn_banner 6
4063at_desc="Molecules - Translation"
4064at_desc_line=" 30: $at_desc "
4065$at_quiet $as_echo_n "$at_desc_line"
4066at_xfail=no
4067echo "# -*- compilation -*-" >> "$at_group_log"
4068(
4069 $as_echo "30. testsuite-molecules.at:44: testing ..."
4070 $at_traceon
4071
4072
4073{ set +x
4074$as_echo "$at_srcdir/testsuite-molecules.at:46: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Molecules/6/pre/test.* ."
4075at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-molecules.at:46"
4076( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/6/pre/test.* .
4077) >>"$at_stdout" 2>>"$at_stderr"
4078at_status=$? at_failed=false
4079$at_check_filter
4080at_fn_diff_devnull "$at_stderr" || at_failed=:
4081at_fn_diff_devnull "$at_stdout" || at_failed=:
4082at_fn_check_status 0 $at_status "$at_srcdir/testsuite-molecules.at:46"
4083$at_failed && at_fn_log_failure
4084$at_traceon; }
4085
4086{ set +x
4087$as_echo "$at_srcdir/testsuite-molecules.at:47: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -t 1. 1. 1."
4088at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-molecules.at:47"
4089( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -t 1. 1. 1.
4090) >>"$at_stdout" 2>>"$at_stderr"
4091at_status=$? at_failed=false
4092$at_check_filter
4093echo stderr:; tee stderr <"$at_stderr"
4094echo stdout:; tee stdout <"$at_stdout"
4095at_fn_check_status 0 $at_status "$at_srcdir/testsuite-molecules.at:47"
4096$at_failed && at_fn_log_failure
4097$at_traceon; }
4098
4099{ set +x
4100$as_echo "$at_srcdir/testsuite-molecules.at:48: file=test.conf; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Molecules/6/post/\$file"
4101at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-molecules.at:48"
4102( $at_check_trace; file=test.conf; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/6/post/$file
4103) >>"$at_stdout" 2>>"$at_stderr"
4104at_status=$? at_failed=false
4105$at_check_filter
4106echo stderr:; cat "$at_stderr"
4107echo stdout:; cat "$at_stdout"
4108at_fn_check_status 0 $at_status "$at_srcdir/testsuite-molecules.at:48"
4109$at_failed && at_fn_log_failure
4110$at_traceon; }
4111
4112 set +x
4113 $at_times_p && times >"$at_times_file"
4114) 5>&1 2>&1 | eval $at_tee_pipe
4115read at_status <"$at_status_file"
4116#AT_STOP_30
4117#AT_START_31
4118# 31. testsuite-molecules.at:52: Molecules - Periodic translation
4119at_setup_line='testsuite-molecules.at:52'
4120at_fn_banner 6
4121at_desc="Molecules - Periodic translation"
4122at_desc_line=" 31: $at_desc "
4123$at_quiet $as_echo_n "$at_desc_line"
4124at_xfail=no
4125echo "# -*- compilation -*-" >> "$at_group_log"
4126(
4127 $as_echo "31. testsuite-molecules.at:52: testing ..."
4128 $at_traceon
4129
4130
4131{ set +x
4132$as_echo "$at_srcdir/testsuite-molecules.at:54: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Molecules/7/pre/test.* ."
4133at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-molecules.at:54"
4134( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/7/pre/test.* .
4135) >>"$at_stdout" 2>>"$at_stderr"
4136at_status=$? at_failed=false
4137$at_check_filter
4138at_fn_diff_devnull "$at_stderr" || at_failed=:
4139at_fn_diff_devnull "$at_stdout" || at_failed=:
4140at_fn_check_status 0 $at_status "$at_srcdir/testsuite-molecules.at:54"
4141$at_failed && at_fn_log_failure
4142$at_traceon; }
4143
4144{ set +x
4145$as_echo "$at_srcdir/testsuite-molecules.at:55: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -T 12. 12. 12."
4146at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-molecules.at:55"
4147( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -T 12. 12. 12.
4148) >>"$at_stdout" 2>>"$at_stderr"
4149at_status=$? at_failed=false
4150$at_check_filter
4151echo stderr:; tee stderr <"$at_stderr"
4152echo stdout:; tee stdout <"$at_stdout"
4153at_fn_check_status 0 $at_status "$at_srcdir/testsuite-molecules.at:55"
4154$at_failed && at_fn_log_failure
4155$at_traceon; }
4156
4157{ set +x
4158$as_echo "$at_srcdir/testsuite-molecules.at:56: file=test.conf; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Molecules/7/post/\$file"
4159at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-molecules.at:56"
4160( $at_check_trace; file=test.conf; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/7/post/$file
4161) >>"$at_stdout" 2>>"$at_stderr"
4162at_status=$? at_failed=false
4163$at_check_filter
4164echo stderr:; cat "$at_stderr"
4165echo stdout:; cat "$at_stdout"
4166at_fn_check_status 0 $at_status "$at_srcdir/testsuite-molecules.at:56"
4167$at_failed && at_fn_log_failure
4168$at_traceon; }
4169
4170 set +x
4171 $at_times_p && times >"$at_times_file"
4172) 5>&1 2>&1 | eval $at_tee_pipe
4173read at_status <"$at_status_file"
4174#AT_STOP_31
4175#AT_START_32
4176# 32. testsuite-molecules.at:60: Molecules - BROKEN: Rotate to PAS
4177at_setup_line='testsuite-molecules.at:60'
4178at_fn_banner 6
4179at_desc="Molecules - BROKEN: Rotate to PAS"
4180at_desc_line=" 32: $at_desc "
4181$at_quiet $as_echo_n "$at_desc_line"
4182at_xfail=no
4183echo "# -*- compilation -*-" >> "$at_group_log"
4184(
4185 $as_echo "32. testsuite-molecules.at:60: testing ..."
4186 $at_traceon
4187
4188
4189{ set +x
4190$as_echo "$at_srcdir/testsuite-molecules.at:62: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Molecules/8/pre/test.* ."
4191at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-molecules.at:62"
4192( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/8/pre/test.* .
4193) >>"$at_stdout" 2>>"$at_stderr"
4194at_status=$? at_failed=false
4195$at_check_filter
4196at_fn_diff_devnull "$at_stderr" || at_failed=:
4197at_fn_diff_devnull "$at_stdout" || at_failed=:
4198at_fn_check_status 0 $at_status "$at_srcdir/testsuite-molecules.at:62"
4199$at_failed && at_fn_log_failure
4200$at_traceon; }
4201
4202{ set +x
4203$as_echo "$at_srcdir/testsuite-molecules.at:63: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -m 1"
4204at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-molecules.at:63"
4205( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -m 1
4206) >>"$at_stdout" 2>>"$at_stderr"
4207at_status=$? at_failed=false
4208$at_check_filter
4209echo stderr:; tee stderr <"$at_stderr"
4210echo stdout:; tee stdout <"$at_stdout"
4211at_fn_check_status 0 $at_status "$at_srcdir/testsuite-molecules.at:63"
4212$at_failed && at_fn_log_failure
4213$at_traceon; }
4214
4215#AT_CHECK([file=test.conf; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/8/post/$file], 0, [ignore], [ignore])
4216 set +x
4217 $at_times_p && times >"$at_times_file"
4218) 5>&1 2>&1 | eval $at_tee_pipe
4219read at_status <"$at_status_file"
4220#AT_STOP_32
4221#AT_START_33
4222# 33. testsuite-fragmentation.at:3: Fragmentation - Checking present config
4223at_setup_line='testsuite-fragmentation.at:3'
4224at_fn_banner 7
4225at_desc="Fragmentation - Checking present config"
4226at_desc_line=" 33: $at_desc "
4227$at_quiet $as_echo_n "$at_desc_line"
4228at_xfail=no
4229echo "# -*- compilation -*-" >> "$at_group_log"
4230(
4231 $as_echo "33. testsuite-fragmentation.at:3: testing ..."
4232 $at_traceon
4233
4234
4235{ set +x
4236$as_echo "$at_srcdir/testsuite-fragmentation.at:5: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Fragmentation/1/pre/test.conf ."
4237at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-fragmentation.at:5"
4238( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Fragmentation/1/pre/test.conf .
4239) >>"$at_stdout" 2>>"$at_stderr"
4240at_status=$? at_failed=false
4241$at_check_filter
4242at_fn_diff_devnull "$at_stderr" || at_failed=:
4243at_fn_diff_devnull "$at_stdout" || at_failed=:
4244at_fn_check_status 0 $at_status "$at_srcdir/testsuite-fragmentation.at:5"
4245$at_failed && at_fn_log_failure
4246$at_traceon; }
4247
4248{ set +x
4249$as_echo "$at_srcdir/testsuite-fragmentation.at:6: fgrep \"Ion_Type1_4\" test.conf"
4250at_fn_check_prepare_trace "testsuite-fragmentation.at:6"
4251( $at_check_trace; fgrep "Ion_Type1_4" test.conf
4252) >>"$at_stdout" 2>>"$at_stderr"
4253at_status=$? at_failed=false
4254$at_check_filter
4255echo stderr:; cat "$at_stderr"
4256echo >>"$at_stdout"; $as_echo "Ion_Type1_4 8.532785963 4.787886018 2.645886050 0 # molecule nr 6
4257" | \
4258 $at_diff - "$at_stdout" || at_failed=:
4259at_fn_check_status 0 $at_status "$at_srcdir/testsuite-fragmentation.at:6"
4260$at_failed && at_fn_log_failure
4261$at_traceon; }
4262
4263{ set +x
4264$as_echo "$at_srcdir/testsuite-fragmentation.at:8: fgrep \"Ion_Type2_4\" test.conf"
4265at_fn_check_prepare_trace "testsuite-fragmentation.at:8"
4266( $at_check_trace; fgrep "Ion_Type2_4" test.conf
4267) >>"$at_stdout" 2>>"$at_stderr"
4268at_status=$? at_failed=false
4269$at_check_filter
4270echo stderr:; cat "$at_stderr"
4271echo stdout:; cat "$at_stdout"
4272at_fn_check_status 1 $at_status "$at_srcdir/testsuite-fragmentation.at:8"
4273$at_failed && at_fn_log_failure
4274$at_traceon; }
4275
4276 set +x
4277 $at_times_p && times >"$at_times_file"
4278) 5>&1 2>&1 | eval $at_tee_pipe
4279read at_status <"$at_status_file"
4280#AT_STOP_33
4281#AT_START_34
4282# 34. testsuite-fragmentation.at:12: Fragmentation - Fragmentation
4283at_setup_line='testsuite-fragmentation.at:12'
4284at_fn_banner 7
4285at_desc="Fragmentation - Fragmentation"
4286at_desc_line=" 34: $at_desc "
4287$at_quiet $as_echo_n "$at_desc_line"
4288at_xfail=no
4289echo "# -*- compilation -*-" >> "$at_group_log"
4290(
4291 $as_echo "34. testsuite-fragmentation.at:12: testing ..."
4292 $at_traceon
4293
4294{ set +x
4295$as_echo "$at_srcdir/testsuite-fragmentation.at:13: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Fragmentation/2/pre/test.conf ."
4296at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-fragmentation.at:13"
4297( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Fragmentation/2/pre/test.conf .
4298) >>"$at_stdout" 2>>"$at_stderr"
4299at_status=$? at_failed=false
4300$at_check_filter
4301at_fn_diff_devnull "$at_stderr" || at_failed=:
4302at_fn_diff_devnull "$at_stdout" || at_failed=:
4303at_fn_check_status 0 $at_status "$at_srcdir/testsuite-fragmentation.at:13"
4304$at_failed && at_fn_log_failure
4305$at_traceon; }
4306
4307{ set +x
4308$as_echo "$at_srcdir/testsuite-fragmentation.at:14: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -f 1.55 2"
4309at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-fragmentation.at:14"
4310( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -f 1.55 2
4311) >>"$at_stdout" 2>>"$at_stderr"
4312at_status=$? at_failed=false
4313$at_check_filter
4314echo stderr:; cat "$at_stderr"
4315echo stdout:; cat "$at_stdout"
4316at_fn_check_status 0 $at_status "$at_srcdir/testsuite-fragmentation.at:14"
4317if $at_failed; then :
4318 mkdir std; mv BondFragment*.conf* std/
4319fi
4320$at_failed && at_fn_log_failure
4321$at_traceon; }
4322
4323{ set +x
4324$as_echo "$at_srcdir/testsuite-fragmentation.at:15: mkdir std; mv BondFragment*.conf* std/"
4325at_fn_check_prepare_trace "testsuite-fragmentation.at:15"
4326( $at_check_trace; mkdir std; mv BondFragment*.conf* std/
4327) >>"$at_stdout" 2>>"$at_stderr"
4328at_status=$? at_failed=false
4329$at_check_filter
4330at_fn_diff_devnull "$at_stderr" || at_failed=:
4331at_fn_diff_devnull "$at_stdout" || at_failed=:
4332at_fn_check_status 0 $at_status "$at_srcdir/testsuite-fragmentation.at:15"
4333$at_failed && at_fn_log_failure
4334$at_traceon; }
4335
4336{ set +x
4337$as_echo "$at_srcdir/testsuite-fragmentation.at:16: ls -l std/BondFragment*.conf | wc -l"
4338at_fn_check_prepare_trace "testsuite-fragmentation.at:16"
4339( $at_check_trace; ls -l std/BondFragment*.conf | wc -l
4340) >>"$at_stdout" 2>>"$at_stderr"
4341at_status=$? at_failed=false
4342$at_check_filter
4343echo stderr:; cat "$at_stderr"
4344echo >>"$at_stdout"; $as_echo "5
4345" | \
4346 $at_diff - "$at_stdout" || at_failed=:
4347at_fn_check_status 0 $at_status "$at_srcdir/testsuite-fragmentation.at:16"
4348$at_failed && at_fn_log_failure
4349$at_traceon; }
4350
4351 set +x
4352 $at_times_p && times >"$at_times_file"
4353) 5>&1 2>&1 | eval $at_tee_pipe
4354read at_status <"$at_status_file"
4355#AT_STOP_34
4356#AT_START_35
4357# 35. testsuite-fragmentation.at:21: Fragmentation - Fragmentation is at MaxOrder
4358at_setup_line='testsuite-fragmentation.at:21'
4359at_fn_banner 7
4360at_desc="Fragmentation - Fragmentation is at MaxOrder"
4361at_desc_line=" 35: $at_desc "
4362$at_quiet $as_echo_n "$at_desc_line"
4363at_xfail=no
4364echo "# -*- compilation -*-" >> "$at_group_log"
4365(
4366 $as_echo "35. testsuite-fragmentation.at:21: testing ..."
4367 $at_traceon
4368
4369{ set +x
4370$as_echo "$at_srcdir/testsuite-fragmentation.at:22: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Fragmentation/3/pre/* ."
4371at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-fragmentation.at:22"
4372( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Fragmentation/3/pre/* .
4373) >>"$at_stdout" 2>>"$at_stderr"
4374at_status=$? at_failed=false
4375$at_check_filter
4376at_fn_diff_devnull "$at_stderr" || at_failed=:
4377at_fn_diff_devnull "$at_stdout" || at_failed=:
4378at_fn_check_status 0 $at_status "$at_srcdir/testsuite-fragmentation.at:22"
4379$at_failed && at_fn_log_failure
4380$at_traceon; }
4381
4382{ set +x
4383$as_echo "$at_srcdir/testsuite-fragmentation.at:23: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -f 1.55 2"
4384at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-fragmentation.at:23"
4385( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -f 1.55 2
4386) >>"$at_stdout" 2>>"$at_stderr"
4387at_status=$? at_failed=false
4388$at_check_filter
4389echo stderr:; cat "$at_stderr"
4390echo stdout:; cat "$at_stdout"
4391at_fn_check_status 2 $at_status "$at_srcdir/testsuite-fragmentation.at:23"
4392if $at_failed; then :
4393 mkdir new; mv BondFragment*.conf* new/
4394fi
4395$at_failed && at_fn_log_failure
4396$at_traceon; }
4397
4398{ set +x
4399$as_echo "$at_srcdir/testsuite-fragmentation.at:24: mkdir new; mv BondFragment*.conf* new/"
4400at_fn_check_prepare_trace "testsuite-fragmentation.at:24"
4401( $at_check_trace; mkdir new; mv BondFragment*.conf* new/
4402) >>"$at_stdout" 2>>"$at_stderr"
4403at_status=$? at_failed=false
4404$at_check_filter
4405at_fn_diff_devnull "$at_stderr" || at_failed=:
4406at_fn_diff_devnull "$at_stdout" || at_failed=:
4407at_fn_check_status 0 $at_status "$at_srcdir/testsuite-fragmentation.at:24"
4408$at_failed && at_fn_log_failure
4409$at_traceon; }
4410
4411 set +x
4412 $at_times_p && times >"$at_times_file"
4413) 5>&1 2>&1 | eval $at_tee_pipe
4414read at_status <"$at_status_file"
4415#AT_STOP_35
4416#AT_START_36
4417# 36. testsuite-tesselation.at:3: Tesselation - Non-Convex Envelope
4418at_setup_line='testsuite-tesselation.at:3'
4419at_fn_banner 8
4420at_desc="Tesselation - Non-Convex Envelope"
4421at_desc_line=" 36: $at_desc "
4422$at_quiet $as_echo_n "$at_desc_line"
4423at_xfail=no
4424echo "# -*- compilation -*-" >> "$at_group_log"
4425(
4426 $as_echo "36. testsuite-tesselation.at:3: testing ..."
4427 $at_traceon
4428
4429
4430{ set +x
4431$as_echo "$at_srcdir/testsuite-tesselation.at:5: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Tesselation/1/pre/* ."
4432at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-tesselation.at:5"
4433( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Tesselation/1/pre/* .
4434) >>"$at_stdout" 2>>"$at_stderr"
4435at_status=$? at_failed=false
4436$at_check_filter
4437at_fn_diff_devnull "$at_stderr" || at_failed=:
4438at_fn_diff_devnull "$at_stdout" || at_failed=:
4439at_fn_check_status 0 $at_status "$at_srcdir/testsuite-tesselation.at:5"
4440$at_failed && at_fn_log_failure
4441$at_traceon; }
4442
4443{ set +x
4444$as_echo "$at_srcdir/testsuite-tesselation.at:6: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -N 4. NonConvexEnvelope"
4445at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-tesselation.at:6"
4446( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -N 4. NonConvexEnvelope
4447) >>"$at_stdout" 2>>"$at_stderr"
4448at_status=$? at_failed=false
4449$at_check_filter
4450echo stderr:; tee stderr <"$at_stderr"
4451echo stdout:; tee stdout <"$at_stdout"
4452at_fn_check_status 0 $at_status "$at_srcdir/testsuite-tesselation.at:6"
4453$at_failed && at_fn_log_failure
4454$at_traceon; }
4455
4456{ set +x
4457$as_echo "$at_srcdir/testsuite-tesselation.at:7: file=NonConvexEnvelope.dat; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Tesselation/1/post/\$file"
4458at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-tesselation.at:7"
4459( $at_check_trace; file=NonConvexEnvelope.dat; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Tesselation/1/post/$file
4460) >>"$at_stdout" 2>>"$at_stderr"
4461at_status=$? at_failed=false
4462$at_check_filter
4463echo stderr:; cat "$at_stderr"
4464echo stdout:; cat "$at_stdout"
4465at_fn_check_status 0 $at_status "$at_srcdir/testsuite-tesselation.at:7"
4466$at_failed && at_fn_log_failure
4467$at_traceon; }
4468
4469{ set +x
4470$as_echo "$at_srcdir/testsuite-tesselation.at:8: file=NonConvexEnvelope.r3d; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Tesselation/1/post/\$file"
4471at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-tesselation.at:8"
4472( $at_check_trace; file=NonConvexEnvelope.r3d; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Tesselation/1/post/$file
4473) >>"$at_stdout" 2>>"$at_stderr"
4474at_status=$? at_failed=false
4475$at_check_filter
4476echo stderr:; cat "$at_stderr"
4477echo stdout:; cat "$at_stdout"
4478at_fn_check_status 0 $at_status "$at_srcdir/testsuite-tesselation.at:8"
4479$at_failed && at_fn_log_failure
4480$at_traceon; }
4481
4482 set +x
4483 $at_times_p && times >"$at_times_file"
4484) 5>&1 2>&1 | eval $at_tee_pipe
4485read at_status <"$at_status_file"
4486#AT_STOP_36
4487#AT_START_37
4488# 37. testsuite-tesselation.at:12: Tesselation - Convex Envelope
4489at_setup_line='testsuite-tesselation.at:12'
4490at_fn_banner 8
4491at_desc="Tesselation - Convex Envelope"
4492at_desc_line=" 37: $at_desc "
4493$at_quiet $as_echo_n "$at_desc_line"
4494at_xfail=no
4495echo "# -*- compilation -*-" >> "$at_group_log"
4496(
4497 $as_echo "37. testsuite-tesselation.at:12: testing ..."
4498 $at_traceon
4499
4500{ set +x
4501$as_echo "$at_srcdir/testsuite-tesselation.at:13: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Tesselation/2/pre/* ."
4502at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-tesselation.at:13"
4503( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Tesselation/2/pre/* .
4504) >>"$at_stdout" 2>>"$at_stderr"
4505at_status=$? at_failed=false
4506$at_check_filter
4507at_fn_diff_devnull "$at_stderr" || at_failed=:
4508at_fn_diff_devnull "$at_stdout" || at_failed=:
4509at_fn_check_status 0 $at_status "$at_srcdir/testsuite-tesselation.at:13"
4510$at_failed && at_fn_log_failure
4511$at_traceon; }
4512
4513{ set +x
4514$as_echo "$at_srcdir/testsuite-tesselation.at:14: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -o ConvexEnvelope NonConvexEnvelope"
4515at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-tesselation.at:14"
4516( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -o ConvexEnvelope NonConvexEnvelope
4517) >>"$at_stdout" 2>>"$at_stderr"
4518at_status=$? at_failed=false
4519$at_check_filter
4520echo stderr:; tee stderr <"$at_stderr"
4521echo stdout:; tee stdout <"$at_stdout"
4522at_fn_check_status 0 $at_status "$at_srcdir/testsuite-tesselation.at:14"
4523$at_failed && at_fn_log_failure
4524$at_traceon; }
4525
4526{ set +x
4527$as_echo "$at_srcdir/testsuite-tesselation.at:15: file=ConvexEnvelope.dat; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Tesselation/2/post/\$file"
4528at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-tesselation.at:15"
4529( $at_check_trace; file=ConvexEnvelope.dat; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Tesselation/2/post/$file
4530) >>"$at_stdout" 2>>"$at_stderr"
4531at_status=$? at_failed=false
4532$at_check_filter
4533echo stderr:; cat "$at_stderr"
4534echo stdout:; cat "$at_stdout"
4535at_fn_check_status 0 $at_status "$at_srcdir/testsuite-tesselation.at:15"
4536$at_failed && at_fn_log_failure
4537$at_traceon; }
4538
4539{ set +x
4540$as_echo "$at_srcdir/testsuite-tesselation.at:16: file=ConvexEnvelope.r3d; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Tesselation/2/post/\$file"
4541at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-tesselation.at:16"
4542( $at_check_trace; file=ConvexEnvelope.r3d; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Tesselation/2/post/$file
4543) >>"$at_stdout" 2>>"$at_stderr"
4544at_status=$? at_failed=false
4545$at_check_filter
4546echo stderr:; cat "$at_stderr"
4547echo stdout:; cat "$at_stdout"
4548at_fn_check_status 0 $at_status "$at_srcdir/testsuite-tesselation.at:16"
4549$at_failed && at_fn_log_failure
4550$at_traceon; }
4551
4552{ set +x
4553$as_echo "$at_srcdir/testsuite-tesselation.at:17: fgrep \"tesselated volume area is 16.4016 angstrom^3\" stdout"
4554at_fn_check_prepare_trace "testsuite-tesselation.at:17"
4555( $at_check_trace; fgrep "tesselated volume area is 16.4016 angstrom^3" stdout
4556) >>"$at_stdout" 2>>"$at_stderr"
4557at_status=$? at_failed=false
4558$at_check_filter
4559echo stderr:; cat "$at_stderr"
4560echo stdout:; cat "$at_stdout"
4561at_fn_check_status 0 $at_status "$at_srcdir/testsuite-tesselation.at:17"
4562$at_failed && at_fn_log_failure
4563$at_traceon; }
4564
4565{ set +x
4566$as_echo "$at_srcdir/testsuite-tesselation.at:18: diff ConvexEnvelope.dat NonConvexEnvelope.dat"
4567at_fn_check_prepare_trace "testsuite-tesselation.at:18"
4568( $at_check_trace; diff ConvexEnvelope.dat NonConvexEnvelope.dat
4569) >>"$at_stdout" 2>>"$at_stderr"
4570at_status=$? at_failed=false
4571$at_check_filter
4572echo stderr:; cat "$at_stderr"
4573echo stdout:; cat "$at_stdout"
4574at_fn_check_status 0 $at_status "$at_srcdir/testsuite-tesselation.at:18"
4575$at_failed && at_fn_log_failure
4576$at_traceon; }
4577
4578 set +x
4579 $at_times_p && times >"$at_times_file"
4580) 5>&1 2>&1 | eval $at_tee_pipe
4581read at_status <"$at_status_file"
4582#AT_STOP_37
4583#AT_START_38
4584# 38. testsuite-tesselation.at:22: Tesselation - Big non-Convex Envelope
4585at_setup_line='testsuite-tesselation.at:22'
4586at_fn_banner 8
4587at_desc="Tesselation - Big non-Convex Envelope"
4588at_desc_line=" 38: $at_desc "
4589$at_quiet $as_echo_n "$at_desc_line"
4590at_xfail=no
4591echo "# -*- compilation -*-" >> "$at_group_log"
4592(
4593 $as_echo "38. testsuite-tesselation.at:22: testing ..."
4594 $at_traceon
4595
4596{ set +x
4597$as_echo "$at_srcdir/testsuite-tesselation.at:23: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Tesselation/3/pre/* ."
4598at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-tesselation.at:23"
4599( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Tesselation/3/pre/* .
4600) >>"$at_stdout" 2>>"$at_stderr"
4601at_status=$? at_failed=false
4602$at_check_filter
4603at_fn_diff_devnull "$at_stderr" || at_failed=:
4604at_fn_diff_devnull "$at_stdout" || at_failed=:
4605at_fn_check_status 0 $at_status "$at_srcdir/testsuite-tesselation.at:23"
4606$at_failed && at_fn_log_failure
4607$at_traceon; }
4608
4609{ set +x
4610$as_echo "$at_srcdir/testsuite-tesselation.at:24: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -N 4. NonConvexEnvelope"
4611at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-tesselation.at:24"
4612( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -N 4. NonConvexEnvelope
4613) >>"$at_stdout" 2>>"$at_stderr"
4614at_status=$? at_failed=false
4615$at_check_filter
4616echo stderr:; tee stderr <"$at_stderr"
4617echo stdout:; tee stdout <"$at_stdout"
4618at_fn_check_status 0 $at_status "$at_srcdir/testsuite-tesselation.at:24"
4619$at_failed && at_fn_log_failure
4620$at_traceon; }
4621
4622{ set +x
4623$as_echo "$at_srcdir/testsuite-tesselation.at:25: file=NonConvexEnvelope.dat; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Tesselation/3/post/\$file"
4624at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-tesselation.at:25"
4625( $at_check_trace; file=NonConvexEnvelope.dat; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Tesselation/3/post/$file
4626) >>"$at_stdout" 2>>"$at_stderr"
4627at_status=$? at_failed=false
4628$at_check_filter
4629echo stderr:; cat "$at_stderr"
4630echo stdout:; cat "$at_stdout"
4631at_fn_check_status 0 $at_status "$at_srcdir/testsuite-tesselation.at:25"
4632$at_failed && at_fn_log_failure
4633$at_traceon; }
4634
4635{ set +x
4636$as_echo "$at_srcdir/testsuite-tesselation.at:26: file=NonConvexEnvelope.r3d; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Tesselation/3/post/\$file"
4637at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-tesselation.at:26"
4638( $at_check_trace; file=NonConvexEnvelope.r3d; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Tesselation/3/post/$file
4639) >>"$at_stdout" 2>>"$at_stderr"
4640at_status=$? at_failed=false
4641$at_check_filter
4642echo stderr:; cat "$at_stderr"
4643echo stdout:; cat "$at_stdout"
4644at_fn_check_status 0 $at_status "$at_srcdir/testsuite-tesselation.at:26"
4645$at_failed && at_fn_log_failure
4646$at_traceon; }
4647
4648 set +x
4649 $at_times_p && times >"$at_times_file"
4650) 5>&1 2>&1 | eval $at_tee_pipe
4651read at_status <"$at_status_file"
4652#AT_STOP_38
4653#AT_START_39
4654# 39. testsuite-filling.at:3: Filling - filling empty box
4655at_setup_line='testsuite-filling.at:3'
4656at_fn_banner 9
4657at_desc="Filling - filling empty box"
4658at_desc_line=" 39: $at_desc "
4659$at_quiet $as_echo_n "$at_desc_line"
4660at_xfail=no
4661echo "# -*- compilation -*-" >> "$at_group_log"
4662(
4663 $as_echo "39. testsuite-filling.at:3: testing ..."
4664 $at_traceon
4665
4666
4667{ set +x
4668$as_echo "$at_srcdir/testsuite-filling.at:5: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Filling/1/pre/test.conf ."
4669at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-filling.at:5"
4670( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Filling/1/pre/test.conf .
4671) >>"$at_stdout" 2>>"$at_stderr"
4672at_status=$? at_failed=false
4673$at_check_filter
4674at_fn_diff_devnull "$at_stderr" || at_failed=:
4675at_fn_diff_devnull "$at_stdout" || at_failed=:
4676at_fn_check_status 0 $at_status "$at_srcdir/testsuite-filling.at:5"
4677$at_failed && at_fn_log_failure
4678$at_traceon; }
4679
4680cat >water.xyz <<'_ATEOF'
46813
4682 # test configuration, created by molecuilder test suite
4683O 0. 0. 0.
4684H 0.758602 0. 0.504284
4685H 0.758602 0. -0.504284
4686_ATEOF
4687
4688{ set +x
4689$as_echo "$at_srcdir/testsuite-filling.at:12: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -v 3 -F water.xyz 3.1 3.1 3.1 2.1 0. 0. 0"
4690at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-filling.at:12"
4691( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -v 3 -F water.xyz 3.1 3.1 3.1 2.1 0. 0. 0
4692) >>"$at_stdout" 2>>"$at_stderr"
4693at_status=$? at_failed=false
4694$at_check_filter
4695echo stderr:; tee stderr <"$at_stderr"
4696echo stdout:; tee stdout <"$at_stdout"
4697at_fn_check_status 0 $at_status "$at_srcdir/testsuite-filling.at:12"
4698$at_failed && at_fn_log_failure
4699$at_traceon; }
4700
4701{ set +x
4702$as_echo "$at_srcdir/testsuite-filling.at:13: file=test.conf; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Filling/1/post/\$file"
4703at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-filling.at:13"
4704( $at_check_trace; file=test.conf; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Filling/1/post/$file
4705) >>"$at_stdout" 2>>"$at_stderr"
4706at_status=$? at_failed=false
4707$at_check_filter
4708echo stderr:; cat "$at_stderr"
4709echo stdout:; cat "$at_stdout"
4710at_fn_check_status 0 $at_status "$at_srcdir/testsuite-filling.at:13"
4711$at_failed && at_fn_log_failure
4712$at_traceon; }
4713
4714 set +x
4715 $at_times_p && times >"$at_times_file"
4716) 5>&1 2>&1 | eval $at_tee_pipe
4717read at_status <"$at_status_file"
4718#AT_STOP_39
4719#AT_START_40
4720# 40. testsuite-filling.at:17: Filling - BROKEN: suspend in water
4721at_setup_line='testsuite-filling.at:17'
4722at_fn_banner 9
4723at_desc="Filling - BROKEN: suspend in water"
4724at_desc_line=" 40: $at_desc "
4725$at_quiet $as_echo_n "$at_desc_line"
4726at_xfail=no
4727echo "# -*- compilation -*-" >> "$at_group_log"
4728(
4729 $as_echo "40. testsuite-filling.at:17: testing ..."
4730 $at_traceon
4731
4732
4733{ set +x
4734$as_echo "$at_srcdir/testsuite-filling.at:19: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Filling/2/pre/test.conf ."
4735at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-filling.at:19"
4736( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Filling/2/pre/test.conf .
4737) >>"$at_stdout" 2>>"$at_stderr"
4738at_status=$? at_failed=false
4739$at_check_filter
4740at_fn_diff_devnull "$at_stderr" || at_failed=:
4741at_fn_diff_devnull "$at_stdout" || at_failed=:
4742at_fn_check_status 0 $at_status "$at_srcdir/testsuite-filling.at:19"
4743$at_failed && at_fn_log_failure
4744$at_traceon; }
4745
4746{ set +x
4747$as_echo "$at_srcdir/testsuite-filling.at:20: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -v 3 -u 1.3"
4748at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-filling.at:20"
4749( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -v 3 -u 1.3
4750) >>"$at_stdout" 2>>"$at_stderr"
4751at_status=$? at_failed=false
4752$at_check_filter
4753echo stderr:; tee stderr <"$at_stderr"
4754echo stdout:; tee stdout <"$at_stdout"
4755at_fn_check_status 0 $at_status "$at_srcdir/testsuite-filling.at:20"
4756$at_failed && at_fn_log_failure
4757$at_traceon; }
4758
4759#AT_CHECK([file=test.conf; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Filling/2/post/$file], 0, [ignore], [ignore])
4760 set +x
4761 $at_times_p && times >"$at_times_file"
4762) 5>&1 2>&1 | eval $at_tee_pipe
4763read at_status <"$at_status_file"
4764#AT_STOP_40
4765#AT_START_41
4766# 41. testsuite-analysis.at:3: Analysis - pair correlation
4767at_setup_line='testsuite-analysis.at:3'
4768at_fn_banner 10
4769at_desc="Analysis - pair correlation"
4770at_desc_line=" 41: $at_desc "
4771$at_quiet $as_echo_n "$at_desc_line"
4772at_xfail=no
4773echo "# -*- compilation -*-" >> "$at_group_log"
4774(
4775 $as_echo "41. testsuite-analysis.at:3: testing ..."
4776 $at_traceon
4777
4778
4779{ set +x
4780$as_echo "$at_srcdir/testsuite-analysis.at:5: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Analysis/1/pre/test.conf ."
4781at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-analysis.at:5"
4782( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Analysis/1/pre/test.conf .
4783) >>"$at_stdout" 2>>"$at_stderr"
4784at_status=$? at_failed=false
4785$at_check_filter
4786at_fn_diff_devnull "$at_stderr" || at_failed=:
4787at_fn_diff_devnull "$at_stdout" || at_failed=:
4788at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:5"
4789$at_failed && at_fn_log_failure
4790$at_traceon; }
4791
4792{ set +x
4793$as_echo "$at_srcdir/testsuite-analysis.at:6: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -v 3 -C E 1 8 output.csv bin_output.csv 0 20"
4794at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-analysis.at:6"
4795( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -v 3 -C E 1 8 output.csv bin_output.csv 0 20
4796) >>"$at_stdout" 2>>"$at_stderr"
4797at_status=$? at_failed=false
4798$at_check_filter
4799echo stderr:; tee stderr <"$at_stderr"
4800echo stdout:; tee stdout <"$at_stdout"
4801at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:6"
4802$at_failed && at_fn_log_failure
4803$at_traceon; }
4804
4805{ set +x
4806$as_echo "$at_srcdir/testsuite-analysis.at:7: fgrep \"Begin of PairCorrelation\" stdout"
4807at_fn_check_prepare_trace "testsuite-analysis.at:7"
4808( $at_check_trace; fgrep "Begin of PairCorrelation" stdout
4809) >>"$at_stdout" 2>>"$at_stderr"
4810at_status=$? at_failed=false
4811$at_check_filter
4812echo stderr:; cat "$at_stderr"
4813echo stdout:; cat "$at_stdout"
4814at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:7"
4815$at_failed && at_fn_log_failure
4816$at_traceon; }
4817
4818{ set +x
4819$as_echo "$at_srcdir/testsuite-analysis.at:8: file=output.csv; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Analysis/1/post/\$file"
4820at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-analysis.at:8"
4821( $at_check_trace; file=output.csv; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Analysis/1/post/$file
4822) >>"$at_stdout" 2>>"$at_stderr"
4823at_status=$? at_failed=false
4824$at_check_filter
4825echo stderr:; cat "$at_stderr"
4826echo stdout:; cat "$at_stdout"
4827at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:8"
4828$at_failed && at_fn_log_failure
4829$at_traceon; }
4830
4831{ set +x
4832$as_echo "$at_srcdir/testsuite-analysis.at:9: file=bin_output.csv; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Analysis/1/post/\$file"
4833at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-analysis.at:9"
4834( $at_check_trace; file=bin_output.csv; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Analysis/1/post/$file
4835) >>"$at_stdout" 2>>"$at_stderr"
4836at_status=$? at_failed=false
4837$at_check_filter
4838echo stderr:; cat "$at_stderr"
4839echo stdout:; cat "$at_stdout"
4840at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:9"
4841$at_failed && at_fn_log_failure
4842$at_traceon; }
4843
4844 set +x
4845 $at_times_p && times >"$at_times_file"
4846) 5>&1 2>&1 | eval $at_tee_pipe
4847read at_status <"$at_status_file"
4848#AT_STOP_41
4849#AT_START_42
4850# 42. testsuite-analysis.at:13: Analysis - pair correlation range test
4851at_setup_line='testsuite-analysis.at:13'
4852at_fn_banner 10
4853at_desc="Analysis - pair correlation range test"
4854at_desc_line=" 42: $at_desc "
4855$at_quiet $as_echo_n "$at_desc_line"
4856at_xfail=no
4857echo "# -*- compilation -*-" >> "$at_group_log"
4858(
4859 $as_echo "42. testsuite-analysis.at:13: testing ..."
4860 $at_traceon
4861
4862
4863{ set +x
4864$as_echo "$at_srcdir/testsuite-analysis.at:15: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Analysis/2/pre/test.conf ."
4865at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-analysis.at:15"
4866( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Analysis/2/pre/test.conf .
4867) >>"$at_stdout" 2>>"$at_stderr"
4868at_status=$? at_failed=false
4869$at_check_filter
4870at_fn_diff_devnull "$at_stderr" || at_failed=:
4871at_fn_diff_devnull "$at_stdout" || at_failed=:
4872at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:15"
4873$at_failed && at_fn_log_failure
4874$at_traceon; }
4875
4876{ set +x
4877$as_echo "$at_srcdir/testsuite-analysis.at:16: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -v 3 -C E 1 8 output-5.csv bin_output-5.csv 0 5"
4878at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-analysis.at:16"
4879( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -v 3 -C E 1 8 output-5.csv bin_output-5.csv 0 5
4880) >>"$at_stdout" 2>>"$at_stderr"
4881at_status=$? at_failed=false
4882$at_check_filter
4883echo stderr:; tee stderr <"$at_stderr"
4884echo stdout:; tee stdout <"$at_stdout"
4885at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:16"
4886$at_failed && at_fn_log_failure
4887$at_traceon; }
4888
4889{ set +x
4890$as_echo "$at_srcdir/testsuite-analysis.at:17: file=output-5.csv; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Analysis/2/post/\$file"
4891at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-analysis.at:17"
4892( $at_check_trace; file=output-5.csv; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Analysis/2/post/$file
4893) >>"$at_stdout" 2>>"$at_stderr"
4894at_status=$? at_failed=false
4895$at_check_filter
4896echo stderr:; cat "$at_stderr"
4897echo stdout:; cat "$at_stdout"
4898at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:17"
4899$at_failed && at_fn_log_failure
4900$at_traceon; }
4901
4902{ set +x
4903$as_echo "$at_srcdir/testsuite-analysis.at:18: file=bin_output-5.csv; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Analysis/2/post/\$file"
4904at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-analysis.at:18"
4905( $at_check_trace; file=bin_output-5.csv; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Analysis/2/post/$file
4906) >>"$at_stdout" 2>>"$at_stderr"
4907at_status=$? at_failed=false
4908$at_check_filter
4909echo stderr:; cat "$at_stderr"
4910echo stdout:; cat "$at_stdout"
4911at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:18"
4912$at_failed && at_fn_log_failure
4913$at_traceon; }
4914
4915{ set +x
4916$as_echo "$at_srcdir/testsuite-analysis.at:19: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -v 3 -C E 1 8 output-10.csv bin_output-10.csv 5 10"
4917at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-analysis.at:19"
4918( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -v 3 -C E 1 8 output-10.csv bin_output-10.csv 5 10
4919) >>"$at_stdout" 2>>"$at_stderr"
4920at_status=$? at_failed=false
4921$at_check_filter
4922echo stderr:; tee stderr <"$at_stderr"
4923echo stdout:; tee stdout <"$at_stdout"
4924at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:19"
4925$at_failed && at_fn_log_failure
4926$at_traceon; }
4927
4928{ set +x
4929$as_echo "$at_srcdir/testsuite-analysis.at:20: file=output-10.csv; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Analysis/2/post/\$file"
4930at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-analysis.at:20"
4931( $at_check_trace; file=output-10.csv; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Analysis/2/post/$file
4932) >>"$at_stdout" 2>>"$at_stderr"
4933at_status=$? at_failed=false
4934$at_check_filter
4935echo stderr:; cat "$at_stderr"
4936echo stdout:; cat "$at_stdout"
4937at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:20"
4938$at_failed && at_fn_log_failure
4939$at_traceon; }
4940
4941{ set +x
4942$as_echo "$at_srcdir/testsuite-analysis.at:21: file=bin_output-10.csv; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Analysis/2/post/\$file"
4943at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-analysis.at:21"
4944( $at_check_trace; file=bin_output-10.csv; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Analysis/2/post/$file
4945) >>"$at_stdout" 2>>"$at_stderr"
4946at_status=$? at_failed=false
4947$at_check_filter
4948echo stderr:; cat "$at_stderr"
4949echo stdout:; cat "$at_stdout"
4950at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:21"
4951$at_failed && at_fn_log_failure
4952$at_traceon; }
4953
4954{ set +x
4955$as_echo "$at_srcdir/testsuite-analysis.at:22: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -v 3 -C E 1 8 output-20.csv bin_output-20.csv 10 20"
4956at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-analysis.at:22"
4957( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -v 3 -C E 1 8 output-20.csv bin_output-20.csv 10 20
4958) >>"$at_stdout" 2>>"$at_stderr"
4959at_status=$? at_failed=false
4960$at_check_filter
4961echo stderr:; tee stderr <"$at_stderr"
4962echo stdout:; tee stdout <"$at_stdout"
4963at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:22"
4964$at_failed && at_fn_log_failure
4965$at_traceon; }
4966
4967{ set +x
4968$as_echo "$at_srcdir/testsuite-analysis.at:23: file=output-20.csv; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Analysis/2/post/\$file"
4969at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-analysis.at:23"
4970( $at_check_trace; file=output-20.csv; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Analysis/2/post/$file
4971) >>"$at_stdout" 2>>"$at_stderr"
4972at_status=$? at_failed=false
4973$at_check_filter
4974echo stderr:; cat "$at_stderr"
4975echo stdout:; cat "$at_stdout"
4976at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:23"
4977$at_failed && at_fn_log_failure
4978$at_traceon; }
4979
4980{ set +x
4981$as_echo "$at_srcdir/testsuite-analysis.at:24: file=bin_output-20.csv; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Analysis/2/post/\$file"
4982at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-analysis.at:24"
4983( $at_check_trace; file=bin_output-20.csv; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Analysis/2/post/$file
4984) >>"$at_stdout" 2>>"$at_stderr"
4985at_status=$? at_failed=false
4986$at_check_filter
4987echo stderr:; cat "$at_stderr"
4988echo stdout:; cat "$at_stdout"
4989at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:24"
4990$at_failed && at_fn_log_failure
4991$at_traceon; }
4992
4993 set +x
4994 $at_times_p && times >"$at_times_file"
4995) 5>&1 2>&1 | eval $at_tee_pipe
4996read at_status <"$at_status_file"
4997#AT_STOP_42
4998#AT_START_43
4999# 43. testsuite-analysis.at:28: Analysis - point correlation
5000at_setup_line='testsuite-analysis.at:28'
5001at_fn_banner 10
5002at_desc="Analysis - point correlation"
5003at_desc_line=" 43: $at_desc "
5004$at_quiet $as_echo_n "$at_desc_line"
5005at_xfail=no
5006echo "# -*- compilation -*-" >> "$at_group_log"
5007(
5008 $as_echo "43. testsuite-analysis.at:28: testing ..."
5009 $at_traceon
5010
5011
5012{ set +x
5013$as_echo "$at_srcdir/testsuite-analysis.at:30: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Analysis/3/pre/test.conf ."
5014at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-analysis.at:30"
5015( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Analysis/3/pre/test.conf .
5016) >>"$at_stdout" 2>>"$at_stderr"
5017at_status=$? at_failed=false
5018$at_check_filter
5019at_fn_diff_devnull "$at_stderr" || at_failed=:
5020at_fn_diff_devnull "$at_stdout" || at_failed=:
5021at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:30"
5022$at_failed && at_fn_log_failure
5023$at_traceon; }
5024
5025{ set +x
5026$as_echo "$at_srcdir/testsuite-analysis.at:31: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -v 3 -C P 1 10. 10. 10. output.csv bin_output.csv 0 20"
5027at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-analysis.at:31"
5028( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -v 3 -C P 1 10. 10. 10. output.csv bin_output.csv 0 20
5029) >>"$at_stdout" 2>>"$at_stderr"
5030at_status=$? at_failed=false
5031$at_check_filter
5032echo stderr:; tee stderr <"$at_stderr"
5033echo stdout:; tee stdout <"$at_stdout"
5034at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:31"
5035$at_failed && at_fn_log_failure
5036$at_traceon; }
5037
5038{ set +x
5039$as_echo "$at_srcdir/testsuite-analysis.at:32: fgrep \"Begin of CorrelationToPoint\" stdout"
5040at_fn_check_prepare_trace "testsuite-analysis.at:32"
5041( $at_check_trace; fgrep "Begin of CorrelationToPoint" stdout
5042) >>"$at_stdout" 2>>"$at_stderr"
5043at_status=$? at_failed=false
5044$at_check_filter
5045echo stderr:; cat "$at_stderr"
5046echo stdout:; cat "$at_stdout"
5047at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:32"
5048$at_failed && at_fn_log_failure
5049$at_traceon; }
5050
5051{ set +x
5052$as_echo "$at_srcdir/testsuite-analysis.at:33: file=output.csv; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Analysis/3/post/\$file"
5053at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-analysis.at:33"
5054( $at_check_trace; file=output.csv; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Analysis/3/post/$file
5055) >>"$at_stdout" 2>>"$at_stderr"
5056at_status=$? at_failed=false
5057$at_check_filter
5058echo stderr:; cat "$at_stderr"
5059echo stdout:; cat "$at_stdout"
5060at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:33"
5061$at_failed && at_fn_log_failure
5062$at_traceon; }
5063
5064{ set +x
5065$as_echo "$at_srcdir/testsuite-analysis.at:34: file=bin_output.csv; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Analysis/3/post/\$file"
5066at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-analysis.at:34"
5067( $at_check_trace; file=bin_output.csv; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Analysis/3/post/$file
5068) >>"$at_stdout" 2>>"$at_stderr"
5069at_status=$? at_failed=false
5070$at_check_filter
5071echo stderr:; cat "$at_stderr"
5072echo stdout:; cat "$at_stdout"
5073at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:34"
5074$at_failed && at_fn_log_failure
5075$at_traceon; }
5076
5077 set +x
5078 $at_times_p && times >"$at_times_file"
5079) 5>&1 2>&1 | eval $at_tee_pipe
5080read at_status <"$at_status_file"
5081#AT_STOP_43
5082#AT_START_44
5083# 44. testsuite-analysis.at:38: Analysis - surface correlation
5084at_setup_line='testsuite-analysis.at:38'
5085at_fn_banner 10
5086at_desc="Analysis - surface correlation"
5087at_desc_line=" 44: $at_desc "
5088$at_quiet $as_echo_n "$at_desc_line"
5089at_xfail=no
5090echo "# -*- compilation -*-" >> "$at_group_log"
5091(
5092 $as_echo "44. testsuite-analysis.at:38: testing ..."
5093 $at_traceon
5094
5095
5096{ set +x
5097$as_echo "$at_srcdir/testsuite-analysis.at:40: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Analysis/4/pre/test.conf ."
5098at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-analysis.at:40"
5099( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Analysis/4/pre/test.conf .
5100) >>"$at_stdout" 2>>"$at_stderr"
5101at_status=$? at_failed=false
5102$at_check_filter
5103at_fn_diff_devnull "$at_stderr" || at_failed=:
5104at_fn_diff_devnull "$at_stdout" || at_failed=:
5105at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:40"
5106$at_failed && at_fn_log_failure
5107$at_traceon; }
5108
5109{ set +x
5110$as_echo "$at_srcdir/testsuite-analysis.at:41: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -v 3 -I -C S 1 output.csv bin_output.csv 1. 0 20"
5111at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-analysis.at:41"
5112( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -v 3 -I -C S 1 output.csv bin_output.csv 1. 0 20
5113) >>"$at_stdout" 2>>"$at_stderr"
5114at_status=$? at_failed=false
5115$at_check_filter
5116echo stderr:; tee stderr <"$at_stderr"
5117echo stdout:; tee stdout <"$at_stdout"
5118at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:41"
5119$at_failed && at_fn_log_failure
5120$at_traceon; }
5121
5122{ set +x
5123$as_echo "$at_srcdir/testsuite-analysis.at:42: fgrep \"Begin of CorrelationToSurface\" stdout"
5124at_fn_check_prepare_trace "testsuite-analysis.at:42"
5125( $at_check_trace; fgrep "Begin of CorrelationToSurface" stdout
5126) >>"$at_stdout" 2>>"$at_stderr"
5127at_status=$? at_failed=false
5128$at_check_filter
5129echo stderr:; cat "$at_stderr"
5130echo stdout:; cat "$at_stdout"
5131at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:42"
5132$at_failed && at_fn_log_failure
5133$at_traceon; }
5134
5135{ set +x
5136$as_echo "$at_srcdir/testsuite-analysis.at:43: file=output.csv; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Analysis/4/post/\$file"
5137at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-analysis.at:43"
5138( $at_check_trace; file=output.csv; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Analysis/4/post/$file
5139) >>"$at_stdout" 2>>"$at_stderr"
5140at_status=$? at_failed=false
5141$at_check_filter
5142echo stderr:; cat "$at_stderr"
5143echo stdout:; cat "$at_stdout"
5144at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:43"
5145$at_failed && at_fn_log_failure
5146$at_traceon; }
5147
5148{ set +x
5149$as_echo "$at_srcdir/testsuite-analysis.at:44: file=bin_output.csv; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Analysis/4/post/\$file"
5150at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-analysis.at:44"
5151( $at_check_trace; file=bin_output.csv; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Analysis/4/post/$file
5152) >>"$at_stdout" 2>>"$at_stderr"
5153at_status=$? at_failed=false
5154$at_check_filter
5155echo stderr:; cat "$at_stderr"
5156echo stdout:; cat "$at_stdout"
5157at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:44"
5158$at_failed && at_fn_log_failure
5159$at_traceon; }
5160
5161 set +x
5162 $at_times_p && times >"$at_times_file"
5163) 5>&1 2>&1 | eval $at_tee_pipe
5164read at_status <"$at_status_file"
5165#AT_STOP_44
5166#AT_START_45
5167# 45. testsuite-analysis.at:48: Analysis - principal axis system
5168at_setup_line='testsuite-analysis.at:48'
5169at_fn_banner 10
5170at_desc="Analysis - principal axis system"
5171at_desc_line=" 45: $at_desc "
5172$at_quiet $as_echo_n "$at_desc_line"
5173at_xfail=no
5174echo "# -*- compilation -*-" >> "$at_group_log"
5175(
5176 $as_echo "45. testsuite-analysis.at:48: testing ..."
5177 $at_traceon
5178
5179
5180{ set +x
5181$as_echo "$at_srcdir/testsuite-analysis.at:50: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Analysis/5/pre/test.conf ."
5182at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-analysis.at:50"
5183( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Analysis/5/pre/test.conf .
5184) >>"$at_stdout" 2>>"$at_stderr"
5185at_status=$? at_failed=false
5186$at_check_filter
5187at_fn_diff_devnull "$at_stderr" || at_failed=:
5188at_fn_diff_devnull "$at_stdout" || at_failed=:
5189at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:50"
5190$at_failed && at_fn_log_failure
5191$at_traceon; }
5192
5193{ set +x
5194$as_echo "$at_srcdir/testsuite-analysis.at:51: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -v 3 -m 0"
5195at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-analysis.at:51"
5196( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -v 3 -m 0
5197) >>"$at_stdout" 2>>"$at_stderr"
5198at_status=$? at_failed=false
5199$at_check_filter
5200echo stderr:; tee stderr <"$at_stderr"
5201echo stdout:; tee stdout <"$at_stdout"
5202at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:51"
5203$at_failed && at_fn_log_failure
5204$at_traceon; }
5205
5206{ set +x
5207$as_echo "$at_srcdir/testsuite-analysis.at:52: fgrep \"eigenvalue = 4382.53,\" stdout"
5208at_fn_check_prepare_trace "testsuite-analysis.at:52"
5209( $at_check_trace; fgrep "eigenvalue = 4382.53," stdout
5210) >>"$at_stdout" 2>>"$at_stderr"
5211at_status=$? at_failed=false
5212$at_check_filter
5213echo stderr:; cat "$at_stderr"
5214echo stdout:; cat "$at_stdout"
5215at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:52"
5216$at_failed && at_fn_log_failure
5217$at_traceon; }
5218
5219{ set +x
5220$as_echo "$at_srcdir/testsuite-analysis.at:53: fgrep \"eigenvalue = 4369.24,\" stdout"
5221at_fn_check_prepare_trace "testsuite-analysis.at:53"
5222( $at_check_trace; fgrep "eigenvalue = 4369.24," stdout
5223) >>"$at_stdout" 2>>"$at_stderr"
5224at_status=$? at_failed=false
5225$at_check_filter
5226echo stderr:; cat "$at_stderr"
5227echo stdout:; cat "$at_stdout"
5228at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:53"
5229$at_failed && at_fn_log_failure
5230$at_traceon; }
5231
5232{ set +x
5233$as_echo "$at_srcdir/testsuite-analysis.at:54: fgrep \"eigenvalue = 28.9359,\" stdout"
5234at_fn_check_prepare_trace "testsuite-analysis.at:54"
5235( $at_check_trace; fgrep "eigenvalue = 28.9359," stdout
5236) >>"$at_stdout" 2>>"$at_stderr"
5237at_status=$? at_failed=false
5238$at_check_filter
5239echo stderr:; cat "$at_stderr"
5240echo stdout:; cat "$at_stdout"
5241at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:54"
5242$at_failed && at_fn_log_failure
5243$at_traceon; }
5244
5245 set +x
5246 $at_times_p && times >"$at_times_file"
5247) 5>&1 2>&1 | eval $at_tee_pipe
5248read at_status <"$at_status_file"
5249#AT_STOP_45
Note: See TracBrowser for help on using the repository browser.