dumpdcd.c File Reference

#include <sys/types.h>
#include <sys/stat.h>
#include <sys/mman.h>
#include <fcntl.h>
#include <stdio.h>
#include <limits.h>

Go to the source code of this file.

Defines
#define	MAP_FILE   0
#define	SKIPFOUR   {d+=4;n-=4;}
#define	SKIP(X)   {d+=(X);n-=(X);}
#define	READINT(X)
Typedefs
typedef short	int32
Functions
int	main (int argc, char *argv[])

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Define Documentation

#define MAP_FILE   0

Definition at line 15 of file dumpdcd.c. Referenced by main().

#define READINT (  X   )

Value: { X=0; if (isbig) { for(j=0;j<4;++j,X<<8) X+=d[j]; } \ else { for(j=3;j>=0;--j,X<<8) X+=d[j]; } } Referenced by main().

#define SKIP (  X   )     {d+=(X);n-=(X);}

Referenced by main().

#define SKIPFOUR   {d+=4;n-=4;}

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Typedef Documentation

typedef short int32

Definition at line 21 of file dumpdcd.c. Referenced by Molecule::build_constant_forces(), Molecule::build_constorque_params(), Molecule::build_constraint_params(), Molecule::build_exPressure_atoms(), Molecule::build_fixed_atoms(), Molecule::build_gridforce_params(), Molecule::build_movdrag_params(), Molecule::build_rotdrag_params(), Molecule::build_stirred_atoms(), ComputeConsTorque::doForce(), ComputeConsForce::doForce(), fill_header(), Molecule::get_angles_for_atom(), Molecule::get_bonds_for_atom(), Molecule::get_crossterms_for_atom(), Molecule::get_dihedrals_for_atom(), Molecule::get_exclusions_for_atom(), Molecule::get_full_exclusions_for_atom(), Molecule::get_impropers_for_atom(), Molecule::get_mod_exclusions_for_atom(), GlobalMasterIMD::get_vmd_forces(), ImproperElem::getMoleculePointers(), DihedralElem::getMoleculePointers(), CrosstermElem::getMoleculePointers(), BondElem::getMoleculePointers(), AngleElem::getMoleculePointers(), imd_htonl(), imd_ntohl(), imd_readn(), imd_recv_handshake(), imd_send_energies(), imd_send_fcoords(), imd_send_mdcomm(), imd_writen(), ComputeHomeTuples< BondElem, Bond, BondValue >::loadTuples(), main(), my_imd_connect(), read_binary_file(), Molecule::receive_Molecule(), ComputeMgr::recvComputeConsForceMsg(), SELF(), and Molecule::send_Molecule().

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Function Documentation

int main (  int  argc, char *  argv[] )

Definition at line 24 of file dumpdcd.c. References int32, and MAP_FILE. { int fd; struct stat statbuf; int i, j, n, isbig, itmp; double delta; float delta4; int32 icntrl[20]; char *ccntrl; char b[8]; char *d; if ( argc != 2 ) { fprintf(stderr,"This program reads the ICNTRL array from DCD files.\n"); fprintf(stderr,"Usage: %s <filename> > <data>\n",argv[0]); exit(-1); } if ( ( fd = open(argv[1], O_RDONLY) ) < 0 ) { fprintf(stderr,"Can't open %s for reading.\n",argv[1]); exit(-1); } if ( fstat(fd,&statbuf) < 0 ) { fprintf(stderr,"Can't stat %s.\n",argv[1]); exit(-1); } n = statbuf.st_size; if ( n <= 104 ) { fprintf(stderr,"%s is not in DCD format.\n",argv[1]); exit(-1); } if ( n % 4 ) { fprintf(stderr,"%s is not in DCD format.\n",argv[1]); exit(-1); } if ( ( d = mmap(0,n,PROT_READ,MAP_FILE|MAP_SHARED,fd,0) ) == (caddr_t) -1 ) { fprintf(stderr,"Can't mmap %s.\n",argv[1]); exit(-1); } #define SKIPFOUR {d+=4;n-=4;} #define SKIP(X) {d+=(X);n-=(X);} #define READINT(X) { X=0; if (isbig) { for(j=0;j<4;++j,X<<8) X+=d[j]; } \ else { for(j=3;j>=0;--j,X<<8) X+=d[j]; } } SKIPFOUR; /* 84 */ SKIPFOUR; /* "CORD" */ ccntrl = (char*)(&(icntrl[0])); for(j=0;j<80;++j) { ccntrl[j] = d[j]; } for(j=0;j<9;++j) { itmp = icntrl[j]; printf("%d\n",itmp); } printf("%f\n",*((float*)(icntrl+9))); for(j=10;j<20;++j) { itmp = icntrl[j]; printf("%d\n",itmp); } }

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