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toward multiple maps

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This commit is contained in:
Jacob Gissinger
2021-01-28 23:44:02 -05:00
parent add904ea4e
commit 797555b5ce
11 changed files with 85 additions and 63 deletions
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11
src/variable.cpp
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@ -24,7 +24,6 @@
#include "info.h"
#include "input.h"
#include "lmppython.h"
#include "label_map.h"
#include "math_const.h"
#include "memory.h"
#include "modify.h"
@ -4541,19 +4540,19 @@ int Variable::labelmap_function(char *word, char *contents, Tree **tree,
std::string typestr = contents;
if (strcmp(word,"label") == 0) {
value = atom->lmap->find(typestr,atom->lmap->ATOM);
value = atom->find_label(typestr,atom->ATOM);
} else if (strcmp(word,"blabel") == 0) {
value = atom->lmap->find(typestr,atom->lmap->BOND);
value = atom->find_label(typestr,atom->BOND);
} else if (strcmp(word,"alabel") == 0) {
value = atom->lmap->find(typestr,atom->lmap->ANGLE);
value = atom->find_label(typestr,atom->ANGLE);
} else if (strcmp(word,"dlabel") == 0) {
value = atom->lmap->find(typestr,atom->lmap->DIHEDRAL);
value = atom->find_label(typestr,atom->DIHEDRAL);
} else if (strcmp(word,"ilabel") == 0) {
value = atom->lmap->find(typestr,atom->lmap->IMPROPER);
value = atom->find_label(typestr,atom->IMPROPER);
}
if (value == -1)