#include <VolMapCreate.h>
Inheritance diagram for VolMapCreateDistance:
Public Methods  
VolMapCreateDistance (VMDApp *app, AtomSel *sel, float res, float the_max_dist)  
Protected Methods  
int  compute_init () 
Creates a map for which each gridpoint contains the distance between that point and the edge of the nearest atom. In other words, each gridpoint specifies the maximum radius of a sphere centered at that point which does not intersect with the spheres of any other atoms. All atoms are treated as spheres using the atoms' VMD radii. More...  
int  compute_frame (int frame, float *voldata) 
Computes, for each gridpoint, the distance to the nearest atom boundary, as defined by the VMD's atomic VDW radii. More...  
Protected Attributes  
float  max_dist 

Definition at line 162 of file VolMapCreate.h. References VolMapCreate::app, max_dist, and VolMapCreate::sel. 

Computes, for each gridpoint, the distance to the nearest atom boundary, as defined by the VMD's atomic VDW radii.
Implements VolMapCreate. Definition at line 851 of file VolMapCreate.C. References VolMapCreate::app, VolMapCreate::calculate_max_radius, AtomSel::change, AtomSel::coordinates, NameList< float * >::data, VolMapCreate::delta, BaseMolecule::extraflt, GRIDSIZEX, GridSearchPair::ind1, GridSearchPair::ind2, max_dist, MEASURE_ERR_NORADII, MEASURE_NOERR, MoleculeList::mol_from_id, VMDApp::moleculeList, AtomSel::molid, n, GridSearchPair::next, NULL, AtomSel::num_atoms, AtomSel::on, VolumetricData::origin, VolMapCreate::sel, vmd_gridsearch3, VolMapCreate::volmap, AtomSel::which_frame, VolumetricData::xsize, VolumetricData::ysize, and VolumetricData::zsize. 

Creates a map for which each gridpoint contains the distance between that point and the edge of the nearest atom. In other words, each gridpoint specifies the maximum radius of a sphere centered at that point which does not intersect with the spheres of any other atoms. All atoms are treated as spheres using the atoms' VMD radii.
Reimplemented from VolMapCreate. Definition at line 837 of file VolMapCreate.C. References VolMapCreate::calculate_max_radius, AtomSel::cmdStr, VolMapCreate::compute_init, max_dist, VolMapCreate::sel, VolumetricData::set_name, and VolMapCreate::volmap. 

Definition at line 158 of file VolMapCreate.h. Referenced by compute_frame, compute_init, and VolMapCreateDistance. 