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begin unfeaturing multiple label maps feature

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This commit is contained in:
Jacob Gissinger
2022-08-09 01:01:31 -04:00
parent 8c8084a027
commit 363b80f85c
10 changed files with 49 additions and 86 deletions
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11
src/variable.cpp
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@ -24,6 +24,7 @@
#include "group.h"
#include "info.h"
#include "input.h"
#include "label_map.h"
#include "library.h"
#include "lmppython.h"
#include "math_const.h"
@ -4405,19 +4406,19 @@ int Variable::labelmap_function(char *word, char *contents, Tree **tree,
std::string typestr(contents);
if (strcmp(word,"label") == 0) {
value = atom->find_label(typestr,Atom::ATOM);
value = atom->lmap->find(typestr,Atom::ATOM);
} else if (strcmp(word,"blabel") == 0) {
value = atom->find_label(typestr,Atom::BOND);
value = atom->lmap->find(typestr,Atom::BOND);
} else if (strcmp(word,"alabel") == 0) {
value = atom->find_label(typestr,Atom::ANGLE);
value = atom->lmap->find(typestr,Atom::ANGLE);
} else if (strcmp(word,"dlabel") == 0) {
value = atom->find_label(typestr,Atom::DIHEDRAL);
value = atom->lmap->find(typestr,Atom::DIHEDRAL);
} else if (strcmp(word,"ilabel") == 0) {
value = atom->find_label(typestr,Atom::IMPROPER);
value = atom->lmap->find(typestr,Atom::IMPROPER);
}
if (value == -1)