OEGetDimensionFromCoords¶
unsigned int OEGetDimensionFromCoords(const OEMolBase &mol)
Returns the molecule’s dimension from the coordinates.
The returned value is 0, 1, 2 or 3
depending upon the number of coordinates for which any atom has a
non-zero value.
The table below illustrates the difference between the
OEGetDimensionFromCoords and
OEGetMDLDimensionFromCoords functions.
Coordinates |
OEGetDimensionFromCoords |
OEGetMDLDimensionFromCoords |
||
|---|---|---|---|---|
X |
Y |
Z |
||
0.00 |
0.00 |
0.00 |
0D |
0D |
1.00 |
0.00 |
0.00 |
1D |
2D |
0.00 |
1.00 |
0.00 |
1D |
2D |
0.00 |
0.00 |
1.00 |
1D |
3D |
1.00 |
1.00 |
0.00 |
2D |
2D |
0.00 |
1.00 |
1.00 |
2D |
3D |
1.00 |
0.00 |
1.00 |
2D |
3D |
1.00 |
1.00 |
1.00 |
3D |
3D |
See also
OESetDimensionFromCoordsfunctionOEGetMDLDimensionFromCoordsandOESetMDLDimensionFromCoordsfunctions