#include <math.h>
#include <stdlib.h>
#include <tcl.h>
#include "TclCommands.h"
#include "AtomSel.h"
#include "VMDApp.h"
#include "MoleculeList.h"
#include "config.h"
#include "Measure.h"
#include "VolumetricData.h"
#include "VolMapCreate.h"
#include "Inform.h"
#include "MeasureSymmetry.h"
Go to the source code of this file.
Defines | |
#define | DOUBLE_VSUB(D, X, Y) |
Functions | |
int | parse_minmax_args (Tcl_Interp *interp, int arg_minmax, Tcl_Obj *const objv[], double *minmax) |
int | vmd_volmap_ils (VMDApp *app, int argc, Tcl_Obj *const objv[], Tcl_Interp *interp) |
int | vmd_volmap_new_fromtype (VMDApp *app, int argc, Tcl_Obj *const objv[], Tcl_Interp *interp) |
int | vmd_volmap_compare (VMDApp *app, int argc, Tcl_Obj *const objv[], Tcl_Interp *interp) |
int | obj_volmap (ClientData cd, Tcl_Interp *interp, int argc, Tcl_Obj *const objv[]) |
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Value: D[0] = float(X[0]-Y[0]); \ D[1] = float(X[1]-Y[1]); \ D[2] = float(X[2]-Y[2]); Definition at line 1140 of file TclVolMap.C. Referenced by vmd_volmap_compare. |
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Definition at line 1475 of file TclVolMap.C. References NULL, strupncmp, vmd_volmap_compare, vmd_volmap_ils, and vmd_volmap_new_fromtype. |
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Definition at line 52 of file TclVolMap.C. Referenced by vmd_volmap_ils, and vmd_volmap_new_fromtype. |
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Definition at line 1153 of file TclVolMap.C. References VolumetricData::data, DOUBLE_VSUB, BaseMolecule::get_volume_data, VolumetricData::gridsize, MoleculeList::mol_from_id, VMDApp::molecule_top, VMDApp::molecule_valid_id, VMDApp::moleculeList, norm, NULL, num, BaseMolecule::num_volume_data, VolumetricData::origin, VolumetricData::xaxis, VolumetricData::xsize, VolumetricData::yaxis, VolumetricData::ysize, VolumetricData::zaxis, and VolumetricData::zsize. Referenced by obj_volmap. |
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