OESetDimensionFromCoordsΒΆ

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