/* ---------------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator http://lammps.sandia.gov, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains certain rights in this software. This software is distributed under the GNU General Public License. See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ #include "dump_xyz_gz.h" #include "error.h" #include "update.h" #include using namespace LAMMPS_NS; DumpXYZGZ::DumpXYZGZ(LAMMPS *lmp, int narg, char **arg) : DumpXYZ(lmp, narg, arg) { gzFp = NULL; if (!compressed) error->all(FLERR,"Dump xyz/gz only writes compressed files"); } /* ---------------------------------------------------------------------- */ DumpXYZGZ::~DumpXYZGZ() { if (gzFp) gzclose(gzFp); gzFp = NULL; fp = NULL; } /* ---------------------------------------------------------------------- generic opening of a dump file ASCII or binary or gzipped some derived classes override this function ------------------------------------------------------------------------- */ void DumpXYZGZ::openfile() { // single file, already opened, so just return if (singlefile_opened) return; if (multifile == 0) singlefile_opened = 1; // if one file per timestep, replace '*' with current timestep char *filecurrent = filename; if (multiproc) filecurrent = multiname; if (multifile) { char *filestar = filecurrent; filecurrent = new char[strlen(filestar) + 16]; char *ptr = strchr(filestar,'*'); *ptr = '\0'; if (padflag == 0) sprintf(filecurrent,"%s" BIGINT_FORMAT "%s", filestar,update->ntimestep,ptr+1); else { char bif[8],pad[16]; strcpy(bif,BIGINT_FORMAT); sprintf(pad,"%%s%%0%d%s%%s",padflag,&bif[1]); sprintf(filecurrent,pad,filestar,update->ntimestep,ptr+1); } *ptr = '*'; if (maxfiles > 0) { if (numfiles < maxfiles) { nameslist[numfiles] = new char[strlen(filecurrent)+1]; strcpy(nameslist[numfiles],filecurrent); ++numfiles; } else { remove(nameslist[fileidx]); delete[] nameslist[fileidx]; nameslist[fileidx] = new char[strlen(filecurrent)+1]; strcpy(nameslist[fileidx],filecurrent); fileidx = (fileidx + 1) % maxfiles; } } } // each proc with filewriter = 1 opens a file if (filewriter) { if (append_flag) { gzFp = gzopen(filecurrent,"ab9"); } else { gzFp = gzopen(filecurrent,"wb9"); } if (gzFp == NULL) error->one(FLERR,"Cannot open dump file"); } else gzFp = NULL; // delete string with timestep replaced if (multifile) delete [] filecurrent; } void DumpXYZGZ::write_header(bigint ndump) { if (me == 0) { gzprintf(gzFp,BIGINT_FORMAT "\n",ndump); gzprintf(gzFp,"Atoms. Timestep: " BIGINT_FORMAT "\n",update->ntimestep); } } /* ---------------------------------------------------------------------- */ void DumpXYZGZ::write_data(int n, double *mybuf) { gzwrite(gzFp,mybuf,sizeof(char)*n); } /* ---------------------------------------------------------------------- */ void DumpXYZGZ::write() { DumpXYZ::write(); if (filewriter) { if (multifile) { gzclose(gzFp); gzFp = NULL; } else { if (flush_flag) gzflush(gzFp,Z_SYNC_FLUSH); } } }