Add tests for editconf file conversion with indexing
commite91fa76b9e80d88077c54c54c0aeb7aef4c956f5
authorMark Abraham <mark.j.abraham@gmail.com>
Thu, 26 Sep 2019 17:50:00 +0000 (26 19:50 +0200)
committerPaul Bauer <paul.bauer.q@gmail.com>
Fri, 27 Sep 2019 08:50:20 +0000 (27 10:50 +0200)
tree7d0bc548001ecf59d28376aeab53dde687893ecd
parentd938ae05fec44db022ff4ca34589cf76403619d8
Add tests for editconf file conversion with indexing

The indexed output to gro files illustrates bug #3107

Fixed two memory leaks necessary to let the tests pass

Refs #3107

Change-Id: Ie61430210ac8a804fb86783c8b76c41333b8d3cf
12 files changed:
src/gromacs/gmxpreprocess/editconf.cpp
src/gromacs/gmxpreprocess/tests/editconf.cpp
src/gromacs/gmxpreprocess/tests/fragment1.ndx [new file with mode: 0644]
src/gromacs/gmxpreprocess/tests/refdata/SinglePeptideFragments_EditconfTest_ProducesMatchingOutputStructureFileUsingIndexGroup_0.xml [new file with mode: 0644]
src/gromacs/gmxpreprocess/tests/refdata/SinglePeptideFragments_EditconfTest_ProducesMatchingOutputStructureFileUsingIndexGroup_1.xml [new file with mode: 0644]
src/gromacs/gmxpreprocess/tests/refdata/SinglePeptideFragments_EditconfTest_ProducesMatchingOutputStructureFileUsingIndexGroup_2.xml [new file with mode: 0644]
src/gromacs/gmxpreprocess/tests/refdata/SinglePeptideFragments_EditconfTest_ProducesMatchingOutputStructureFileUsingIndexGroup_3.xml [new file with mode: 0644]
src/gromacs/gmxpreprocess/tests/refdata/SinglePeptideFragments_EditconfTest_ProducesMatchingOutputStructureFileUsingIndexGroup_4.xml [new file with mode: 0644]
src/gromacs/gmxpreprocess/tests/refdata/SinglePeptideFragments_EditconfTest_ProducesMatchingOutputStructureFileUsingIndexGroup_5.xml [new file with mode: 0644]
src/gromacs/gmxpreprocess/tests/refdata/SinglePeptideFragments_EditconfTest_ProducesMatchingOutputStructureFileUsingIndexGroup_6.xml [new file with mode: 0644]
src/gromacs/gmxpreprocess/tests/refdata/SinglePeptideFragments_EditconfTest_ProducesMatchingOutputStructureFileUsingIndexGroup_7.xml [new file with mode: 0644]
src/gromacs/gmxpreprocess/tests/refdata/SinglePeptideFragments_EditconfTest_ProducesMatchingOutputStructureFileUsingIndexGroup_8.xml [new file with mode: 0644]