/******************* * Ranges: * x: 0 - 16 * y: 0 - 60 * z: -1 - 16 * atom type: 1 - 4 * ******************/ /* filters atoms based on their xy-coordinate * the filter limits are hardcoded in this example */ static char* filter_atom_xy= "{\ int i;\ int output_atoms; \ \ output.timestamp = input.timestamp; \ output.natoms = input.natoms; \ output.na3 = input.na3; \ output.nbonds = 0;\ output.nb_2 = 0; \ output_atoms = 0; \ for (i=0; i 00 && input.xatoms[i*3] < 200 \ && input.xatoms[i*3+1] > 00 && input.xatoms[i*3+1] < 200) {\ output.itype[output_atoms] = input.itype[i];\ output.xatoms[output_atoms*3] = input.xatoms[i*3];\ output.xatoms[output_atoms*3+1] = input.xatoms[i*3+1];\ output.xatoms[output_atoms*3+2] = input.xatoms[i*3+2];\ output_atoms = output_atoms + 1;\ }\ }\ output.natoms = output_atoms; \ output.na3 = output_atoms*3;\ return 1;\ }\0\0"; /**************************************/