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type label support for molecule files

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replace types directly for molecule files
This commit is contained in:
Jacob Gissinger
2021-01-12 17:52:55 -05:00
parent d7fb74f0be
commit 93c33ac4f4
2 changed files with 40 additions and 25 deletions
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29
src/label_map.cpp
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@ -36,27 +36,16 @@ LabelMap::~LabelMap()
// delete type labels
typelabel.clear();
btypelabel.clear();
atypelabel.clear();
dtypelabel.clear();
itypelabel.clear();
delete [] lmap2lmap.atom;
if (force->bond) {
btypelabel.clear();
delete [] lmap2lmap.bond;
}
if (force->angle) {
atypelabel.clear();
delete [] lmap2lmap.angle;
}
if (force->dihedral) {
dtypelabel.clear();
delete [] lmap2lmap.dihedral;
}
if (force->improper) {
itypelabel.clear();
delete [] lmap2lmap.improper;
}
delete [] lmap2lmap.bond;
delete [] lmap2lmap.angle;
delete [] lmap2lmap.dihedral;
delete [] lmap2lmap.improper;
}
/* ----------------------------------------------------------------------