hack->tp = tp;
if ((tp < 1) || (tp >= maxcontrol))
{
- gmx_fatal(FARGS, "Error in hdb file %s:\nH-type should be in 1-%d. Offending line:\n%s", fn,
- maxcontrol - 1, line);
+ gmx_fatal(FARGS,
+ "Error in hdb file %s:\nH-type should be in 1-%d. Offending line:\n%s",
+ fn,
+ maxcontrol - 1,
+ line);
}
hack->nctl = ns - 3;
gmx_fatal(FARGS,
"Error in hdb file %s:\nWrong number of control atoms (%d instead of %d) on "
"line:\n%s\n",
- fn, hack->nctl, ncontrol[hack->tp], line);
+ fn,
+ hack->nctl,
+ ncontrol[hack->tp],
+ line);
}
for (int i = 0; (i < hack->nctl); i++)
{
gmx_fatal(FARGS,
"Expected %d lines of hydrogens, found only %d "
"while reading Hydrogen Database %s residue %s",
- nab, i - 1, block->name.c_str(), hfn);
+ nab,
+ i - 1,
+ block->name.c_str(),
+ hfn);
}
if (nullptr == fgets(buf, STRLEN, in))
{
if (!globalPatches->empty())
{
/* Sort the list for searching later */
- std::sort(globalPatches->begin(), globalPatches->end(),
+ std::sort(globalPatches->begin(),
+ globalPatches->end(),
[](const MoleculePatchDatabase& a1, const MoleculePatchDatabase& a2) {
- return std::lexicographical_compare(
- a1.name.begin(), a1.name.end(), a2.name.begin(), a2.name.end(),
- [](const char& c1, const char& c2) {
- return std::toupper(c1) < std::toupper(c2);
- });
+ return std::lexicographical_compare(a1.name.begin(),
+ a1.name.end(),
+ a2.name.begin(),
+ a2.name.end(),
+ [](const char& c1, const char& c2) {
+ return std::toupper(c1) < std::toupper(c2);
+ });
});
}
}
gmx::ArrayRef<const MoleculePatchDatabase>::iterator
search_h_db(gmx::ArrayRef<const MoleculePatchDatabase> globalPatches, const char* key)
{
- return std::find_if(
- globalPatches.begin(), globalPatches.end(),
- [&key](const MoleculePatchDatabase& a) { return gmx::equalCaseInsensitive(key, a.name); });
+ return std::find_if(globalPatches.begin(), globalPatches.end(), [&key](const MoleculePatchDatabase& a) {
+ return gmx::equalCaseInsensitive(key, a.name);
+ });
}