Main Page Namespace List Class Hierarchy Alphabetical List Compound List File List Namespace Members Compound Members File Members Related Pages

VolMapCreateCoulombPotential Class Reference

#include <VolMapCreate.h>

Inheritance diagram for VolMapCreateCoulombPotential:

List of all members.

Public Methods

VolMapCreateCoulombPotential (VMDApp *app, AtomSel *sel, float res)

Protected Methods

int compute_init ()
called before computing individual frames. More...

int compute_frame (int frame, float *voldata)

Constructor & Destructor Documentation

VolMapCreateCoulombPotential::VolMapCreateCoulombPotential ( VMDApp * app,
AtomSel * sel,
float res
) [inline]

Definition at line 174 of file VolMapCreate.h.

References VolMapCreate::app, and VolMapCreate::sel.


Member Function Documentation

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

Implements VolMapCreate.

Definition at line 951 of file VolMapCreate.C.

References VolMapCreate::app, VolumetricData::cell_axes, AtomSel::change, AtomSel::coordinates, NameList< float * >::data, VolMapCreate::delta, BaseMolecule::extraflt, AtomSel::firstsel, AtomSel::lastsel, MEASURE_ERR_NORADII, MoleculeList::mol_from_id, VMDApp::moleculeList, AtomSel::molid, NULL, AtomSel::on, VolumetricData::origin, POT_CONV, VolMapCreate::sel, AtomSel::selected, vol_cpotential, VolMapCreate::volmap, AtomSel::which_frame, VolumetricData::xsize, VolumetricData::ysize, and VolumetricData::zsize.

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

called before computing individual frames.

Reimplemented from VolMapCreate.

Definition at line 938 of file VolMapCreate.C.

References VolMapCreate::calculate_max_radius, AtomSel::cmdStr, VolMapCreate::compute_init, VolMapCreate::sel, VolumetricData::set_name, and VolMapCreate::volmap.


The documentation for this class was generated from the following files:
Generated on Sun Nov 16 02:47:43 2025 for VMD (current) by doxygen1.2.14 written by Dimitri van Heesch, © 1997-2002

AltStyle によって変換されたページ (->オリジナル) /