C++ (Cpp) repName Examples

Example #1

File: TrajIOarray.cpp Project: SAMAN-64/cpptraj

/** Assuming lowest replica filename has been set, search for all other 
  * replica names assuming a naming scheme of '<PREFIX>.<EXT>[.<CEXT>]', 
  * where <EXT> is a numerical extension and <CEXT> is an optional 
  * compression extension. 
  * \return Found replica filenames, or an empty list on error. 
  */
int TrajIOarray::SearchForReplicas(FileName const& fname) {
  RepName repName(fname, debug_);
  if (repName.Error()) return 1;
  // Search for a replica number lower than this. Correct functioning
  // of the replica code requires the file specified by trajin be the
  // lowest # replica.
  if (File::Exists( repName.RepFilename( -1 ) )) {
    mprintf("Warning: Replica# found lower than file specified with trajin.\n"
            "Warning:   Found \"%s\"; 'trajin remdtraj' requires lowest # replica.\n",
            repName.RepFilename( -1 ).full());
  }
  // Add lowest replica filename, search for and add all replicas higher than it.
  replica_filenames_.push_back( fname );
  int rep_offset = 0;
  bool search_for_files = true;
  FileName trajFilename;
  while (search_for_files) {
    ++rep_offset;
    trajFilename = repName.RepFilename( rep_offset );
    //mprintf("\t\tChecking for %s\n", trajFilename.full());
    if (File::Exists( trajFilename ))
      replica_filenames_.push_back( trajFilename );
    else
      search_for_files = false;
  }
  mprintf("\tFound %u replicas.\n", replica_filenames_.size());

  return 0;
}

Example #2

File: FileName.cpp Project: Amber-MD/cpptraj

/** Assuming lowest replica filename has been set, search for all other 
  * replica names assuming a naming scheme of '<PREFIX>.<EXT>[.<CEXT>]', 
  * where <EXT> is a numerical extension and <CEXT> is an optional 
  * compression extension. 
  * \return Found replica filenames, or an empty list on error. 
  */
File::NameArray File::SearchForReplicas(FileName const& fname, int debug) {
  NameArray replica_filenames;
  if (!File::Exists(fname)) {
    mprinterr("Error: '%s' does not correspond to a file.\n", fname.full());
    return replica_filenames;
  }
  RepName repName(fname, debug);
  if (repName.Error()) return replica_filenames;
  // Search for a replica number lower than this. Correct functioning
  // of the replica code requires the file specified by trajin be the
  // lowest # replica.
  if (File::Exists( repName.RepFilename( -1 ) )) {
    mprintf("Warning: Replica# found lower than file specified with trajin.\n"
            "Warning:   Found \"%s\"; 'trajin remdtraj' requires lowest # replica.\n",
            repName.RepFilename( -1 ).full());
  }
  // Add lowest replica filename, search for and add all replicas higher than it.
  replica_filenames.push_back( fname );
  int rep_offset = 0;
  bool search_for_files = true;
  FileName trajFilename;
  while (search_for_files) {
    ++rep_offset;
    trajFilename = repName.RepFilename( rep_offset );
    //mprintf("\t\tChecking for %s\n", trajFilename.full());
    if (File::Exists( trajFilename ))
      replica_filenames.push_back( trajFilename );
    else
      search_for_files = false;
  }
  return replica_filenames;
}

Example #3

File: TrajIOarray.cpp Project: SAMAN-64/cpptraj

/** Each rank searches for replica based on lowest replica number. */
int TrajIOarray::SearchForReplicas(FileName const& fname, Parallel::Comm const& ensComm,
                                   Parallel::Comm const& trajComm)
{
  RepName repName(fname, debug_);
  if (repName.Error()) return 1;
  // TODO check for lower replica number?
  FileName replicaFilename = repName.RepFilename( ensComm.Rank() );
  // Only traj comm masters actually check for files.
  if (trajComm.Master()) {
    if (!File::Exists( replicaFilename )) {
      File::ErrorMsg( replicaFilename.full() );
      rprinterr("Error: File '%s' not accessible.\n", replicaFilename.full());
      return 1;
    }
  }
  // At this point each rank has found its replica. Populate filename array.
  for (int offset = 0; offset < ensComm.Size(); ++offset)
    replica_filenames_.push_back( repName.RepFilename( offset ) );
  return 0;
}

Example #4

File: FileName.cpp Project: Amber-MD/cpptraj

/** Each rank searches for replica based on lowest replica number. */
File::NameArray File::SearchForReplicas(FileName const& fname, bool trajCommMaster,
                                        int ensRank, int ensSize, int debug)
{
  NameArray replica_filenames;
  RepName repName(fname, debug);
  if (repName.Error()) return replica_filenames;
  // TODO check for lower replica number?
  FileName replicaFilename = repName.RepFilename( ensRank );
  // Only traj comm masters actually check for files.
  if (trajCommMaster) {
    if (!File::Exists( replicaFilename )) {
      File::ErrorMsg( replicaFilename.full() );
      rprinterr("Error: File '%s' not accessible.\n", replicaFilename.full());
      return replica_filenames;
    }
  }
  // At this point each rank has found its replica. Populate filename array.
  for (int offset = 0; offset < ensSize; ++offset)
    replica_filenames.push_back( repName.RepFilename( offset ) );
  return replica_filenames;
}