OESetDimensionFromCoords¶
void OESetDimensionFromCoords(OEMolBase &)
Assigns the molecule’s dimension property from the coordinates
using the OEMolBase::SetDimension
method. The dimension property is set to the value 0, 1,
2 or 3 depending upon the number of ordinates for which any
atom has a non-zero value.
The table below illustrates the difference between the
OESetDimensionFromCoords and
OESetMDLDimensionFromCoords functions.
Coordinates |
OESetDimensionFromCoords |
OESetMDLDimensionFromCoords |
||
|---|---|---|---|---|
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
OEGetDimensionFromCoordsfunctionOEGetMDLDimensionFromCoordsandOESetMDLDimensionFromCoordsfunctions