File size: 1,643 Bytes
8efb4bd | 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 | #include "Common.h"
void Common::checkFile(const char* fileName, std::ifstream& file) {
if(!file) {
std::cerr << "Can't open file: " << fileName << std::endl;
Logger::errorMessage() << "Can't open file: " << fileName << std::endl;
exit(1);
}
}
void Common::readChemMolecule(const std::string fileName, ChemMolecule& mol, const ChemLib& protLib) {
std::ifstream molFile(fileName.c_str());
checkFile(fileName.c_str(), molFile);
mol.loadMolecule(molFile, protLib);
molFile.close();
Logger::infoMessage() << "Chem molecule: " << mol.size() << " atoms were read" << std::endl;
}
void Common::readChemMolecule(const std::string fileName, ChemMolecule& mol) {
std::ifstream molFile(fileName.c_str());
checkFile(fileName.c_str(), molFile);
mol.readPDBfile(molFile, PDB::WaterHydrogenUnSelector());
molFile.close();
Logger::infoMessage() << "Chem molecule: " << mol.size() << " atoms were read" << std::endl;
}
void Common::readHydrogenMolecule(const std::string fileName, Molecule<Atom>& mol) {
std::ifstream molFile(fileName.c_str());
checkFile(fileName.c_str(), molFile);
mol.readAllPDBfile(molFile, PDB::WaterUnSelector());
molFile.close();
Logger::infoMessage() << "Hydrogen molecule: " << mol.size() << " atoms were read" << std::endl;
}
void Common::readSurface(const std::string fileName, Surface& surface) {
std::ifstream surfFile(fileName.c_str());
checkFile(fileName.c_str(), surfFile);
surface.readShouFile(surfFile);
surfFile.close();
Logger::infoMessage() << "Surface: " << surface.size() << " surface points were read" << std::endl;
}
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