actual_radius | MolData | |
basisa | MolData | |
basisb | MolData | |
basisc | MolData | |
coords | MolData | |
count | MolData | |
findAtomsGrid(const AtomGrid *grid) | MolData | |
getActualRadius() const | MolData | [inline] |
getRadius() const | MolData | [inline] |
gridspacing | MolData | |
MolData() | MolData | [inline] |
origin | MolData | |
periodic | MolData | |
radius | MolData | |
readData(const int *indx, const float *coords, const int count, const Vector3D o, const Vector3D a, const Vector3D b, const Vector3D c, const double gridspacing, const double radius, const double threshold, const bool periodic) | MolData | [static] |
readFile(const char *fname, double gridspacing, double radius, double threshold) | MolData | [static] |
threshold | MolData | |
wrapCoords(const AtomGrid *grid) | MolData | |
~MolData() | MolData | [inline] |