source: tests/regression/Filling/RegularGrid/testsuite-fill-regular-grid-with-minimum-distance-to-surface.at@ af340c

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Last change on this file since af340c was df0c80, checked in by Frederik Heber <heber@…>, 9 years ago

FIX: Filling actions did not use minimum distance for tesselated surface.

  • added IsCloseEnoughSurface_FillPredicate which requires a minimum distance to the tesselated surface (but does not care about the sign) and combines it with an additonal IsInsideSurface_FillPredicate.
  • this is now used in regular-grid, surface, and volume fill actions when a non-zero minimum distance is given.
  • TESTFIX: Test is now working.
  • Property mode set to 100644
File size: 1.7 KB
Line 
1#
2# MoleCuilder - creates and alters molecular systems
3# Copyright (C) 2016 Frederik Heber
4#
5# This program is free software: you can redistribute it and/or modify
6# it under the terms of the GNU General Public License as published by
7# the Free Software Foundation, either version 3 of the License, or
8# (at your option) any later version.
9#
10# This program is distributed in the hope that it will be useful,
11# but WITHOUT ANY WARRANTY; without even the implied warranty of
12# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
13# GNU General Public License for more details.
14#
15# You should have received a copy of the GNU General Public License
16# along with this program. If not, see <http://www.gnu.org/licenses/>.
17#
18### fill regular grid with surface with minimum distance
19
20AT_SETUP([Filling - Fill regular grid with surface and minimum distance])
21AT_KEYWORDS([filling fill-regular-grid add-empty-boundary minimum-distance])
22
23file=amylose_filled_water.pdb
24AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/RegularGrid/pre/amylose_straightened_more.pdb $file], 0)
25AT_CHECK([chmod u+w $file], 0)
26AT_CHECK([../../molecuilder -i $file --add-empty-boundary .25,.25,.25 --select-all-atoms --load ${abs_top_srcdir}/tests/regression/Filling/RegularGrid/pre/water.pdb --select-molecule-by-order -1 --fill-regular-grid --mesh-size 3 3 12 --mesh-offset "0.5,0.5,0.5" --tesselation-radius 2.5 --min-distance 1. --DoRotate 1 --random-molecule-displacement 0.1], 0, [stdout], [stderr])
27AT_CHECK([grep -q "INFO: 57 out of 108 returned true from predicate." stdout], 0)
28AT_CHECK([diff -I'.*reated by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Filling/RegularGrid/post/$file], 0, [ignore], [ignore])
29
30AT_CLEANUP
31
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