ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

more use of fmtlib and std::string

Browse Source
This commit is contained in:
Axel Kohlmeyer
2020-06-25 21:32:30 -04:00
parent 4816c5c7cc
commit e4a3a518f7
12 changed files with 94 additions and 162 deletions
Download Patch File Download Diff File Expand all files Collapse all files

52
src/modify.cpp
View File

@ -13,6 +13,7 @@
#include "modify.h"
#include <cstring>
#include <string>
#include "style_compute.h"
#include "style_fix.h"
#include "atom.h"
@ -836,18 +837,17 @@ void Modify::add_fix(int narg, char **arg, int trysuffix)
int match = 0;
if (strcmp(arg[2],fix[ifix]->style) == 0) match = 1;
if (!match && trysuffix && lmp->suffix_enable) {
char estyle[256];
if (lmp->suffix) {
sprintf(estyle,"%s/%s",arg[2],lmp->suffix);
if (strcmp(estyle,fix[ifix]->style) == 0) match = 1;
std::string estyle = arg[2] + std::string("/") + lmp->suffix;
if (estyle == fix[ifix]->style) match = 1;
}
if (lmp->suffix2) {
sprintf(estyle,"%s/%s",arg[2],lmp->suffix2);
if (strcmp(estyle,fix[ifix]->style) == 0) match = 1;
std::string estyle = arg[2] + std::string("/") + lmp->suffix2;
if (estyle == fix[ifix]->style) match = 1;
}
}
if (!match) error->all(FLERR,
"Replacing a fix, but new style != old style");
if (!match)
error->all(FLERR,"Replacing a fix, but new style != old style");
if (fix[ifix]->igroup != igroup && comm->me == 0)
error->warning(FLERR,"Replacing a fix, but new group != old group");
@ -870,26 +870,24 @@ void Modify::add_fix(int narg, char **arg, int trysuffix)
if (trysuffix && lmp->suffix_enable) {
if (lmp->suffix) {
int n = strlen(arg[2])+strlen(lmp->suffix)+2;
char *estyle = new char[n];
sprintf(estyle,"%s/%s",arg[2],lmp->suffix);
std::string estyle = arg[2] + std::string("/") + lmp->suffix;
if (fix_map->find(estyle) != fix_map->end()) {
FixCreator fix_creator = (*fix_map)[estyle];
fix[ifix] = fix_creator(lmp,narg,arg);
delete[] fix[ifix]->style;
fix[ifix]->style = estyle;
} else delete[] estyle;
fix[ifix]->style = new char[estyle.size()+1];
strcpy(fix[ifix]->style,estyle.c_str());
}
}
if (fix[ifix] == NULL && lmp->suffix2) {
int n = strlen(arg[2])+strlen(lmp->suffix2)+2;
char *estyle = new char[n];
sprintf(estyle,"%s/%s",arg[2],lmp->suffix2);
std::string estyle = arg[2] + std::string("/") + lmp->suffix2;
if (fix_map->find(estyle) != fix_map->end()) {
FixCreator fix_creator = (*fix_map)[estyle];
fix[ifix] = fix_creator(lmp,narg,arg);
delete[] fix[ifix]->style;
fix[ifix]->style = estyle;
} else delete[] estyle;
fix[ifix]->style = new char[estyle.size()+1];
strcpy(fix[ifix]->style,estyle.c_str());
}
}
}
@ -1164,7 +1162,7 @@ int Modify::check_rigid_list_overlap(int *select)
int n = 0;
for (int ifix = 0; ifix < nfix; ifix++) {
if (strncmp("rigid",fix[ifix]->style,5) == 0) {
if (utils::strmatch(fix[ifix]->style,"^rigid")) {
const int * const body = (const int *)fix[ifix]->extract("body",dim);
if ((body == NULL) || (dim != 1)) break;
@ -1209,26 +1207,24 @@ void Modify::add_compute(int narg, char **arg, int trysuffix)
if (trysuffix && lmp->suffix_enable) {
if (lmp->suffix) {
int n = strlen(arg[2])+strlen(lmp->suffix)+2;
char *estyle = new char[n];
sprintf(estyle,"%s/%s",arg[2],lmp->suffix);
std::string estyle = arg[2] + std::string("/") + lmp->suffix;
if (compute_map->find(estyle) != compute_map->end()) {
ComputeCreator compute_creator = (*compute_map)[estyle];
compute[ncompute] = compute_creator(lmp,narg,arg);
delete[] compute[ncompute]->style;
compute[ncompute]->style = estyle;
} else delete[] estyle;
compute[ncompute]->style = new char[estyle.size()+1];
strcpy(compute[ncompute]->style,estyle.c_str());
}
}
if (compute[ncompute] == NULL && lmp->suffix2) {
int n = strlen(arg[2])+strlen(lmp->suffix2)+2;
char *estyle = new char[n];
sprintf(estyle,"%s/%s",arg[2],lmp->suffix2);
std::string estyle = arg[2] + std::string("/") + lmp->suffix2;
if (compute_map->find(estyle) != compute_map->end()) {
ComputeCreator compute_creator = (*compute_map)[estyle];
compute[ncompute] = compute_creator(lmp,narg,arg);
delete[] compute[ncompute]->style;
compute[ncompute]->style = estyle;
} else delete[] estyle;
compute[ncompute]->style = new char[estyle.size()+1];
strcpy(compute[ncompute]->style,estyle.c_str());
}
}
}