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graspplugin.C File Reference

#include <stdio.h>
#include <math.h>
#include <string.h>
#include "molfile_plugin.h"
#include "endianswap.h"

Go to the source code of this file.

Compounds
struct	grasp_t
	plugin data handle. More...
struct	GRASSP
	Grasp structure. More...
Defines
#define	POTENTIALS   1
	Define variables by the name of Grasp property. More...
#define	CURVATURES   2
#define	DISTANCES   4
#define	PROPERTY_1   8
#define	PROPERTY_2   16
#define	VERTEXCOLOR   32
#define	GLOBALCOLOR   64
#define	TRASH   fread(trash, 4, 1, infile)
Typedefs
typedef float	COLOUR [3]
	Define other variables. More...
typedef unsigned int	SHORTWORD
typedef float	VECTOR [3]
Functions
void	Set_Colour (float *c, float r, float g, float b)
	Sets colour. More...
void	ClinComb2 (float c[], float k1, float c1[], float k2, float c2[])
	Combines colour. More...
void	Get_Property_Values (GRASSP *grassp, float *properties, float *colores, int nvert)
	Gets properties. More...
void	line3 (FILE *infile, GRASSP *grassp)
	Reads line3. More...
int	is_little_endian (void)
void *	open_file_read (const char *filepath, const char *filetype, int *natoms)
int	read_rawgraphics (void *v, int *nelem, const molfile_graphics_t **data)
void	close_file_read (void *v)
VMDPLUGIN_API int	VMDPLUGIN_init (void)
VMDPLUGIN_API int	VMDPLUGIN_register (void *v, vmdplugin_register_cb cb)
VMDPLUGIN_API int	VMDPLUGIN_fini (void)
Variables
molfile_plugin_t	plugin

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Define Documentation

#define CURVATURES   2

Definition at line 40 of file graspplugin.C. Referenced by line3.

#define DISTANCES   4

Definition at line 41 of file graspplugin.C. Referenced by line3.

#define GLOBALCOLOR   64

Definition at line 45 of file graspplugin.C. Referenced by Get_Property_Values, and line3.

#define POTENTIALS   1

Define variables by the name of Grasp property. Definition at line 39 of file graspplugin.C. Referenced by Get_Property_Values, and line3.

#define PROPERTY_1   8

Definition at line 42 of file graspplugin.C. Referenced by line3.

#define PROPERTY_2   16

Definition at line 43 of file graspplugin.C. Referenced by line3.

#define TRASH   fread(trash, 4, 1, infile)

#define VERTEXCOLOR   32

Definition at line 44 of file graspplugin.C. Referenced by line3.

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Typedef Documentation

typedef float COLOUR

Define other variables. Definition at line 48 of file graspplugin.C.

typedef unsigned int SHORTWORD

Definition at line 50 of file graspplugin.C. Referenced by Get_Property_Values.

typedef float VECTOR[3]

Definition at line 51 of file graspplugin.C.

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Function Documentation

void ClinComb2 (  float    c[], float    k1, float    c1[], float    k2, float    c2[] )

Combines colour. Definition at line 76 of file graspplugin.C. Referenced by Get_Property_Values.

void close_file_read (  void *    v )  [static]

Definition at line 482 of file graspplugin.C. References grasp_t::fd, and grasp_t::graphics. Referenced by VMDPLUGIN_init.

void Get_Property_Values (  GRASSP *    grassp, float *    properties, float *    colores, int    nvert )

Gets properties. Definition at line 84 of file graspplugin.C. References GRASSP::chi, ClinComb2, GRASSP::clo, GRASSP::cmd, GRASSP::colors, GRASSP::flag, GLOBALCOLOR, name, POTENTIALS, GRASSP::range, Set_Colour, and SHORTWORD. Referenced by read_rawgraphics.

int is_little_endian (  void    )  [static]

Definition at line 235 of file graspplugin.C. Referenced by read_rawgraphics.

void line3 (  FILE *    infile, GRASSP *    grassp )

Reads line3. Definition at line 179 of file graspplugin.C. References GRASSP::chi, GRASSP::clo, GRASSP::cmd, CURVATURES, DISTANCES, GRASSP::flag, GLOBALCOLOR, line3, POTENTIALS, PROPERTY_1, PROPERTY_2, Set_Colour, and VERTEXCOLOR. Referenced by line3, and read_rawgraphics.

void* open_file_read (  const char *    filepath, const char *    filetype, int *    natoms )  [static]

Definition at line 241 of file graspplugin.C. References grasp_t::fd, and grasp_t::graphics. Referenced by VMDPLUGIN_init.

int read_rawgraphics (  void *    v, int *    nelem, const molfile_graphics_t **    data )  [static]

Definition at line 257 of file graspplugin.C. References molfile_graphics_t::data, grasp_t::fd, Get_Property_Values, grasp_t::graphics, is_little_endian, line3, MOLFILE_COLOR, MOLFILE_ERROR, MOLFILE_NORMS, MOLFILE_TRINORM, swap2_aligned, swap4_aligned, and molfile_graphics_t::type. Referenced by VMDPLUGIN_init.

void Set_Colour (  float *    c, float    r, float    g, float    b )

Sets colour. Definition at line 68 of file graspplugin.C. Referenced by Get_Property_Values, and line3.

VMDPLUGIN_API int VMDPLUGIN_fini (  void    )

Definition at line 517 of file graspplugin.C. References VMDPLUGIN_API, and VMDPLUGIN_SUCCESS.

VMDPLUGIN_API int VMDPLUGIN_init (  void    )

Definition at line 495 of file graspplugin.C. References close_file_read, molfile_plugin_t::close_file_read, molfile_plugin_t::filename_extension, MOLFILE_PLUGIN_TYPE, open_file_read, molfile_plugin_t::open_file_read, read_rawgraphics, molfile_plugin_t::read_rawgraphics, vmdplugin_ABIVERSION, VMDPLUGIN_API, VMDPLUGIN_SUCCESS, and VMDPLUGIN_THREADSAFE.

VMDPLUGIN_API int VMDPLUGIN_register (  void *    v, vmdplugin_register_cb    cb )

Definition at line 512 of file graspplugin.C. References VMDPLUGIN_API, vmdplugin_register_cb, and VMDPLUGIN_SUCCESS.

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Variable Documentation

molfile_plugin_t plugin [static]

Definition at line 493 of file graspplugin.C.

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