}
else
{
- fprintf(debug, " match: %4s %4s\n", ap->entry[j].residueName.c_str(),
+ fprintf(debug,
+ " match: %4s %4s\n",
+ ap->entry[j].residueName.c_str(),
ap->entry[j].atomName.c_str());
}
}
{
if (ap->entry[j].value == propValue)
{
- fprintf(stderr, "Warning double identical entries for %s %s %g on line %d in file %s\n",
- residueName.c_str(), atomName.c_str(), propValue, line, ap->db.c_str());
+ fprintf(stderr,
+ "Warning double identical entries for %s %s %g on line %d in file %s\n",
+ residueName.c_str(),
+ atomName.c_str(),
+ propValue,
+ line,
+ ap->db.c_str());
}
else
{
fprintf(stderr,
"Warning double different entries %s %s %g and %g on line %d in file %s\n"
"Using last entry (%g)\n",
- residueName.c_str(), atomName.c_str(), propValue, ap->entry[j].value, line,
- ap->db.c_str(), propValue);
+ residueName.c_str(),
+ atomName.c_str(),
+ propValue,
+ ap->entry[j].value,
+ line,
+ ap->db.c_str(),
+ propValue);
ap->entry[j].value = propValue;
}
}
*/
static bool setProperties(AtomProperty* ap, ResidueType* restype, int eprop, bool haveBeenWarned)
{
- const char* fns[epropNR] = { "atommass.dat", "vdwradii.dat", "dgsolv.dat", "electroneg.dat",
- "elements.dat" };
- double fac[epropNR] = { 1.0, 1.0, 418.4, 1.0, 1.0 };
- double def[epropNR] = { 12.011, 0.14, 0.0, 2.2, -1 };
+ const char* fns[epropNR] = {
+ "atommass.dat", "vdwradii.dat", "dgsolv.dat", "electroneg.dat", "elements.dat"
+ };
+ double fac[epropNR] = { 1.0, 1.0, 418.4, 1.0, 1.0 };
+ double def[epropNR] = { 12.011, 0.14, 0.0, 2.2, -1 };
bool printWarning = false;
if (!ap->isSet)
{
if (nullptr != fp)
{
- fprintf(fp, "NOTE: From version 5.0 %s uses the Van der Waals radii\n",
+ fprintf(fp,
+ "NOTE: From version 5.0 %s uses the Van der Waals radii\n",
gmx::getProgramContext().displayName());
fprintf(fp, "from the source below. This means the results may be different\n");
fprintf(fp, "compared to previous GROMACS versions.\n");