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VolMapCreateInterp Class Reference

#include <VolMapCreate.h>

Inheritance diagram for VolMapCreateInterp:

VolMapCreate 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

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.


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.


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.


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