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replace fmt::print() with utils::print()

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This commit is contained in:
Axel Kohlmeyer
2025-01-23 00:11:31 -05:00
parent 8baec60155
commit e4dbfee498
69 changed files with 397 additions and 397 deletions
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30
src/label_map.cpp
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@ -335,28 +335,28 @@ bool LabelMap::is_complete(int mode) const
void LabelMap::write_data(FILE *fp)
{
if (is_complete(Atom::ATOM)) {
fmt::print(fp, "\nAtom Type Labels\n\n");
for (int i = 0; i < natomtypes; i++) fmt::print(fp, "{} {}\n", i + 1, typelabel[i]);
utils::print(fp, "\nAtom Type Labels\n\n");
for (int i = 0; i < natomtypes; i++) utils::print(fp, "{} {}\n", i + 1, typelabel[i]);
}
if (force->bond && is_complete(Atom::BOND)) {
fmt::print(fp, "\nBond Type Labels\n\n");
for (int i = 0; i < nbondtypes; i++) fmt::print(fp, "{} {}\n", i + 1, btypelabel[i]);
utils::print(fp, "\nBond Type Labels\n\n");
for (int i = 0; i < nbondtypes; i++) utils::print(fp, "{} {}\n", i + 1, btypelabel[i]);
}
if (force->angle && is_complete(Atom::ANGLE)) {
fmt::print(fp, "\nAngle Type Labels\n\n");
for (int i = 0; i < nangletypes; i++) fmt::print(fp, "{} {}\n", i + 1, atypelabel[i]);
utils::print(fp, "\nAngle Type Labels\n\n");
for (int i = 0; i < nangletypes; i++) utils::print(fp, "{} {}\n", i + 1, atypelabel[i]);
}
if (force->dihedral && is_complete(Atom::DIHEDRAL)) {
fmt::print(fp, "\nDihedral Type Labels\n\n");
for (int i = 0; i < ndihedraltypes; i++) fmt::print(fp, "{} {}\n", i + 1, dtypelabel[i]);
utils::print(fp, "\nDihedral Type Labels\n\n");
for (int i = 0; i < ndihedraltypes; i++) utils::print(fp, "{} {}\n", i + 1, dtypelabel[i]);
}
if (force->improper && is_complete(Atom::IMPROPER)) {
fmt::print(fp, "\nImproper Type Labels\n\n");
for (int i = 0; i < nimpropertypes; i++) fmt::print(fp, "{} {}\n", i + 1, itypelabel[i]);
utils::print(fp, "\nImproper Type Labels\n\n");
for (int i = 0; i < nimpropertypes; i++) utils::print(fp, "{} {}\n", i + 1, itypelabel[i]);
}
}
@ -473,31 +473,31 @@ void LabelMap::write_map(const std::string &filename)
if (typelabel_map.size() > 0) {
fputs("labelmap atom", fp);
for (int i = 0; i < natomtypes; ++i)
if (!typelabel[i].empty()) fmt::print(fp, " {} \"\"\" {} \"\"\"", i + 1, typelabel[i]);
if (!typelabel[i].empty()) utils::print(fp, " {} \"\"\" {} \"\"\"", i + 1, typelabel[i]);
fputc('\n', fp);
}
if (btypelabel_map.size() > 0) {
fputs("labelmap bond", fp);
for (int i = 0; i < nbondtypes; ++i)
if (!btypelabel[i].empty()) fmt::print(fp, " {} \"\"\" {} \"\"\"", i + 1, btypelabel[i]);
if (!btypelabel[i].empty()) utils::print(fp, " {} \"\"\" {} \"\"\"", i + 1, btypelabel[i]);
fputc('\n', fp);
}
if (atypelabel_map.size() > 0) {
fputs("labelmap angle", fp);
for (int i = 0; i < nangletypes; ++i)
if (!atypelabel[i].empty()) fmt::print(fp, " {} \"\"\" {} \"\"\"", i + 1, atypelabel[i]);
if (!atypelabel[i].empty()) utils::print(fp, " {} \"\"\" {} \"\"\"", i + 1, atypelabel[i]);
fputc('\n', fp);
}
if (dtypelabel_map.size() > 0) {
fputs("labelmap dihedral", fp);
for (int i = 0; i < ndihedraltypes; ++i)
if (!dtypelabel[i].empty()) fmt::print(fp, " {} \"\"\" {} \"\"\"", i + 1, dtypelabel[i]);
if (!dtypelabel[i].empty()) utils::print(fp, " {} \"\"\" {} \"\"\"", i + 1, dtypelabel[i]);
fputc('\n', fp);
}
if (itypelabel_map.size() > 0) {
fputs("labelmap improper", fp);
for (int i = 0; i < nimpropertypes; ++i)
if (!itypelabel[i].empty()) fmt::print(fp, " {} \"\"\" {} \"\"\"", i + 1, itypelabel[i]);
if (!itypelabel[i].empty()) utils::print(fp, " {} \"\"\" {} \"\"\"", i + 1, itypelabel[i]);
fputc('\n', fp);
}
fclose(fp);