VolMapCreateInterp Class Reference

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

Definition at line 135 of file VolMapCreate.h.

References VolMapCreate::app, VolMapCreate::sel, weight, weight_mutable, and weight_string.

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.

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.