/* * XyzParser.cpp * * Created on: Mar 2, 2010 * Author: metzler */ void XyzParser::load(char* fileName) { MatrixContainer* data = readData(fileName, 2, 0); comment for (each line in matrix) { add atom to the world } } void XyzParser::save(char* fileName) { write number of atoms to file write comment from original header to file or sum formula if there is none for (each atom in world) { write coordinates } } int getHeaderSize(char identifier) { return 2; }