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