Changeset 52b5ca

Timestamp:

May 18, 2016, 10:04:49 PM (9 years ago)

Author:

Frederik Heber <heber@…>

Branches:

CombiningParticlePotentialParsing

Parents:

928f65

git-author:

Frederik Heber <heber@…> (03/09/16 12:00:45)

git-committer:

Frederik Heber <heber@…> (05/18/16 22:04:49)

Message:

Extended regression test SaveParsePotentials to take both particles and potentials into account.

Location:

tests/regression/Potential/SaveParsePotentials

Files:

• post/bio.potentials (added)
• post/harmonic.potentials (added)
• pre/bio.potentials (added)
• testsuite-potential-save-parse-potentials.at (modified) (1 diff)

tests/regression/Potential/SaveParsePotentials/testsuite-potential-save-parse-potentials.at

@@ -27 +27 @@
         --parse-potentials $file \
         --save-potentials harmonic_new.potentials], 0, [stdout], [ignore])
-AT_CHECK([diff $file harmonic_new.potentials], 0, [ignore], [ignore])
+AT_CHECK([diff ${abs_top_srcdir}/tests/regression/Potential/SaveParsePotentials/post/$file harmonic_new.potentials], 0, [ignore], [ignore])
 
 AT_CLEANUP
+
+AT_SETUP([Potential - save and parse large potential file])
+AT_KEYWORDS([potential parse-potentials save-potentials])
+
+file=bio.potentials
+AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Potential/SaveParsePotentials/pre/$file $file], 0)
+AT_CHECK([chmod u+w $file], 0, [ignore], [ignore])
+AT_CHECK([../../molecuilder \
+        --parse-potentials $file \
+        --save-potentials harmonic_new.potentials], 0, [stdout], [ignore])
+AT_CHECK([diff ${abs_top_srcdir}/tests/regression/Potential/SaveParsePotentials/post/$file bio_new.potentials], 0, [ignore], [ignore])
+
+AT_CLEANUP