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MeasureSurface.C File Reference

#include <math.h>
#include <stdlib.h>
#include <stdio.h>
#include "Measure.h"

Go to the source code of this file.

Compounds
class	AtomData
class	AtomGrid
class	AtomGridCell
class	AtomList
class	GridList
class	IndexList
class	MolData
class	Vector3D
Functions
Vector3D	operator * (double s, Vector3D v)
Vector3D	operator/ (Vector3D v, double s)
int	msmain (int argc, char *argv[])
void	measure_surface_int (const double res, const double radius, const double select_dist, const bool periodic, const double a, const double b, const double c, const double alpha, const double beta, const double gamma, int *indices, float *coords, int count, int **surf, int *n_surf)
int	measure_surface (AtomSel *sel, MoleculeList *mlist, const float *framepos, const double gridsz, const double radius, const double depth, int **surface, int *n_surf)

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Function Documentation

int measure_surface (  AtomSel *    sel, MoleculeList *    mlist, const float *    framepos, const double    gridsz, const double    radius, const double    depth, int **    surface, int *    n_surf )

Definition at line 1481 of file MeasureSurface.C. References Timestep::a_length, Timestep::alpha, Timestep::b_length, Timestep::beta, Timestep::c_length, AtomSel::firstsel, Timestep::gamma, AtomSel::lastsel, MEASURE_ERR_NOATOMS, MEASURE_ERR_NOSEL, measure_minmax, MEASURE_NOERR, measure_surface_int, NULL, AtomSel::num_atoms, AtomSel::on, AtomSel::selected, and AtomSel::timestep. Referenced by vmd_measure_surface.

void measure_surface_int (  const double    res, const double    radius, const double    select_dist, const bool    periodic, const double    a, const double    b, const double    c, const double    alpha, const double    beta, const double    gamma, int *    indices, float *    coords, int    count, int **    surf, int *    n_surf )

Definition at line 1389 of file MeasureSurface.C. References AtomGrid::build, DEGTORAD, MolData::findAtomsGrid, MolData::readData, AtomList::storeData, MolData::wrapCoords, Vector3D::x, Vector3D::y, and Vector3D::z. Referenced by measure_surface.

int msmain (  int    argc, char *    argv[] )

Definition at line 1356 of file MeasureSurface.C. References AtomGrid::build, MolData::findAtomsGrid, NULL, MolData::readFile, AtomList::storeFile, and MolData::wrapCoords.

Vector3D operator * (  double    s, Vector3D    v )

Definition at line 69 of file MeasureSurface.C. References Vector3D::x, Vector3D::y, and Vector3D::z.

Vector3D operator/ (  Vector3D    v, double    s )

Definition at line 76 of file MeasureSurface.C. References Vector3D::x, Vector3D::y, and Vector3D::z.

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