PDBData.h File Reference

#include <strings.h>
#include "common.h"
#include <string.h>

Go to the source code of this file.

Classes
class	PDBData
class	PDBUnknown
class	PDBAtom
class	PDBAtomRecord
class	PDBHetatm

Functions
PDBData *	new_PDBData (const char *data)

Function Documentation

new_PDBData()

PDBData* new_PDBData

(

const char *

data

)

Definition at line 624 of file PDBData.C.

References PDBData::ATOM, PDBData::HETATM, and PDBData::PDBNames.

Referenced by PDB::PDB().

{
  char temps1[160];
  char temps2[160];
  char *temps;
  sscanf(data, "%s %s ", temps1, temps2);
  if (temps1[0] == '#')
     temps = temps2;
    else
     temps = temps1;

     // go through the list of possible PDB data types
     //this _should_ be the same as: for(PDBTypes i=HEADER; i<UNKNOWN; i++)
  for (int i=0; i< (int)(sizeof(PDBData::PDBNames) /
                  sizeof(PDBData::PDBNames[0])); i++)
    if (!strcmp(temps, PDBData::PDBNames[i]))
       switch(i) {
         case PDBData::ATOM: return new PDBAtomRecord(data);
         case PDBData::HETATM: return new PDBHetatm(data);
         default: return new PDBUnknown(data);
       }
  // Now, if HETATM is right next to an aton number (like HETATM12345) then the above
  // test will fail, so I have to special case it:
  if (!strncmp(temps, PDBData::PDBNames[PDBData::HETATM], sizeof(PDBData::PDBNames[PDBData::HETATM]))) {
    return new PDBHetatm(data);
  }
   //  Hmm, looks like it isn't any data type, so I'll fake it
   return new PDBUnknown(data);
}