#include <stdio.h>
#include "VolumetricData.h"
#include "VMDApp.h"
#include <stdint.h>
Go to the source code of this file.
Defines | |
#define | MIN(X, Y) (((X)<(Y))? (X) : (Y)) |
#define | MAX(X, Y) (((X)>(Y))? (X) : (Y)) |
Functions | |
int | myisnan (float f) |
float | cubic_interp (float y0, float y1, float y2, float y3, float mu) |
Cubic interpolation used by supersample. More... | |
void | voxel_coord (int x, int y, int z, float &gx, float &gy, float &gz, VolumetricData *vol) |
get the cartesian coordinate of a voxel given its x,y,z indices. More... | |
void | voxel_coord (int i, float &x, float &y, float &z, VolumetricData *vol) |
get the cartesian coordinate of a voxel given its 1D index. More... | |
void | add (VolumetricData *mapA, VolumetricData *mapB, VolumetricData *newvol, bool interp, bool USE_UNION) |
add voxel values from mapA and mapB together elementwise. More... | |
void | subtract (VolumetricData *mapA, VolumetricData *mapB, VolumetricData *newvol, bool interp, bool USE_UNION) |
subtract voxel values of mapB from mapA. More... | |
void | multiply (VolumetricData *mapA, VolumetricData *mapB, VolumetricData *newvol, bool interp, bool USE_UNION) |
multiplies voxel values of two mapA and mapB together. More... | |
void | average (VolumetricData *mapA, VolumetricData *mapB, VolumetricData *newvol, bool interp, bool USE_UNION) |
create a new VolumetricData object whose values are the average mapA and mapB at each location. More... | |
void | vol_com (VolumetricData *vol, float *com) |
calculate the centor of mass of a VolumetricData object. More... | |
void | vol_moveto (VolumetricData *vol, float *com, float *pos) |
translate the center of mass of a given VolumetricData object to a specific cartesian coordinate. More... | |
void | vol_move (VolumetricData *vol, float *mat) |
apply a matrix transformation to a volumetricdata. More... | |
void | init_from_union (VolumetricData *mapA, const VolumetricData *mapB, VolumetricData *newvol) |
create a new VolumetricData object from the union of two datasets. More... | |
void | init_from_intersection (VolumetricData *mapA, const VolumetricData *mapB, VolumetricData *newvol) |
create a new VolumetricData object from the intersection of two datasets. More... | |
VolumetricData * | init_new_volume () |
create a new empty volume. More... | |
int | init_new_volume_molecule (VMDApp *app, VolumetricData *newvol, const char *name) |
create a new VMD molecule with VolumetricData. More... | |
void | histogram (VolumetricData *vol, int nbins, long *bins, float *midpts) |
Calculate histogram of map. bins and midpts are return arrays for the counts and midpoints of the bins, respectively and must be the size of nbins. More... | |
int | write_file (VMDApp *app, Molecule *volmol, int volid, const char *filename) |
write volumetric data to a file using MoleFilePlugin. More... |
Definition in file Voltool.h.
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add voxel values from mapA and mapB together elementwise.
Definition at line 249 of file Voltool.C. Referenced by density_add, ColorscaleLumaChart::draw, and MolBrowser::update. |
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create a new VolumetricData object whose values are the average mapA and mapB at each location.
Definition at line 352 of file Voltool.C. Referenced by density_average. |
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Cubic interpolation used by supersample.
Definition at line 43 of file Voltool.h. Referenced by VolumetricData::supersample. |
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Calculate histogram of map. bins and midpts are return arrays for the counts and midpoints of the bins, respectively and must be the size of nbins.
Definition at line 443 of file Voltool.C. Referenced by density_histogram. |
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create a new VolumetricData object from the intersection of two datasets.
Referenced by add, average, cc_threaded, multiply, and subtract. |
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create a new VolumetricData object from the union of two datasets.
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create a new empty volume.
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create a new VMD molecule with VolumetricData.
Definition at line 216 of file Voltool.C. Referenced by density_add, density_average, density_multiply, density_subtract, mask, and mdff_sim. |
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multiplies voxel values of two mapA and mapB together.
Definition at line 303 of file Voltool.C. Referenced by density_multiply, and mask. |
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Definition at line 37 of file Voltool.h. Referenced by correlationthread, and multiply. |
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subtract voxel values of mapB from mapA.
Definition at line 276 of file Voltool.C. Referenced by density_subtract. |
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calculate the centor of mass of a VolumetricData object.
Definition at line 229 of file Voltool.C. Referenced by density_com, density_moveto, density_rotate, fit, and reset_density. |
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apply a matrix transformation to a volumetricdata.
Definition at line 399 of file Voltool.C. Referenced by density_move, and do_density_rotate. |
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translate the center of mass of a given VolumetricData object to a specific cartesian coordinate.
Definition at line 379 of file Voltool.C. Referenced by density_moveto, density_rotate, and reset_density. |
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get the cartesian coordinate of a voxel given its 1D index.
Definition at line 68 of file Voltool.h. References VolumetricData::cell_axes, VolumetricData::origin, VolumetricData::xsize, VolumetricData::ysize, and z. Referenced by correlationthread. |
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get the cartesian coordinate of a voxel given its x,y,z indices.
Definition at line 55 of file Voltool.h. References VolumetricData::cell_axes, VolumetricData::origin, and z. |
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write volumetric data to a file using MoleFilePlugin.
Definition at line 464 of file Voltool.C. Referenced by density_add, density_average, density_binmask, density_clamp, density_crop, density_downsample, density_mdff_potential, density_move, density_moveto, density_multiply, density_range, density_sadd, density_save, density_sigma, density_smooth, density_smult, density_subtract, density_supersample, density_trim, mask, and mdff_sim. |