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VolMapCreateInterp Class Reference

#include <VolMapCreate.h>

Inheritance diagram for VolMapCreateInterp:

List of all members.

Public Methods
	VolMapCreateInterp (VMDApp *app, AtomSel *sel, float res, float *the_weight, char const *the_weight_string, int the_weight_mutable)
Protected Methods
int	compute_init ()
	Creates a map with the atomic weights interpolated onto a grid. For each atom, its weight is distributed to the 8 nearest voxels via a trilinear interpolation. More...
int	compute_frame (int frame, float *voldata)
Protected Attributes
float *	weight
char const *	weight_string
int	weight_mutable

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Constructor & Destructor Documentation

VolMapCreateInterp::VolMapCreateInterp (  VMDApp *    app, AtomSel *    sel, float    res, float *    the_weight, char const *    the_weight_string, int    the_weight_mutable )  [inline]

Definition at line 135 of file VolMapCreate.h. References VolMapCreate::app, VolMapCreate::sel, weight, weight_mutable, and weight_string.

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Member Function Documentation

int VolMapCreateInterp::compute_frame (  int    frame, float *    voldata )  [protected, virtual]

Implements VolMapCreate. Definition at line 637 of file VolMapCreate.C. References VolMapCreate::app, atomsel_default_weights, AtomSel::change, AtomSel::coordinates, VolMapCreate::delta, AtomSel::firstsel, get_weights_from_attribute, GRIDSIZEX, AtomSel::lastsel, MEASURE_ERR_NOWEIGHT, MoleculeList::mol_from_id, VMDApp::moleculeList, AtomSel::molid, NULL, AtomSel::on, VolumetricData::origin, VolMapCreate::sel, VolMapCreate::volmap, weight, weight_string, AtomSel::which_frame, VolumetricData::xsize, VolumetricData::ysize, and VolumetricData::zsize.

int VolMapCreateInterp::compute_init (    )  [protected, virtual]

Creates a map with the atomic weights interpolated onto a grid. For each atom, its weight is distributed to the 8 nearest voxels via a trilinear interpolation. Reimplemented from VolMapCreate. Definition at line 628 of file VolMapCreate.C. References AtomSel::cmdStr, VolMapCreate::compute_init, VolMapCreate::delta, VolMapCreate::sel, VolumetricData::set_name, and VolMapCreate::volmap.

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Member Data Documentation

float* VolMapCreateInterp::weight [protected]

Definition at line 128 of file VolMapCreate.h. Referenced by compute_frame, and VolMapCreateInterp.

int VolMapCreateInterp::weight_mutable [protected]

Definition at line 130 of file VolMapCreate.h. Referenced by VolMapCreateInterp.

char const* VolMapCreateInterp::weight_string [protected]

Definition at line 129 of file VolMapCreate.h. Referenced by compute_frame, and VolMapCreateInterp.

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The documentation for this class was generated from the following files:

• VolMapCreate.h
• VolMapCreate.C

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