void readGeomFromText(char *fileName)  {
	ifstream fin(fileName);
	double* mobile = new double[24];
	char wordBuf[200]={0};

	while(!fin.eof()) {
		fin >> wordBuf;
		if(!fin.eof()) {
			char newFileName[100] = {0};
			strcpy(newFileName, "Met");
			strcat(newFileName, wordBuf);

			double ordinate = atof(wordBuf);
			fin >> wordBuf;
			double object   = atof(wordBuf);
			
			for(int i=0; i<24; i++) {
				fin>>wordBuf;
				mobile[i] =atof(wordBuf); 
			}
			
			writePDB(mobile, newFileName);
			cout << ordinate << "\t" << object << endl;
		}
	}
Exemplo n.º 2
0
Arquivo: pdbio.cpp Projeto: klyshko/MT
/*
 * Saves data from PDB object into a PDB file format
 *
 * For detailed information about PDB file format, please visit
 * http://www.wwpdb.org/documentation/format23/sect6.html
 *
 * Parameters:
 * 		filename: name of a file to save into (will be overwritten/created)
 * 		pdbData: pointer of an object to get data from
 */
void writePDB(const char* filename, PDB* pdbData){
	writePDB(filename, pdbData, 0);
}