OECalcSzmapValueΒΆ

double OECalcSzmapValue(OESzmap::OESzmapEngine &szmap,
                        const float *xyz,
                        unsigned int ensembleType=OESzmap::OEEnsemble::Default)
double OECalcSzmapValue(OESzmap::OESzmapEngine &szmap,
                        const double *xyz,
                        unsigned int ensembleType=OESzmap::OEEnsemble::Default)

Returns one of the OEEnsemble values at the specified 3D point, using the OESzmapEngine provided. See OEEnsemble::Default for a description of the default energy value.

double nddg = OECalcSzmapValue(sz, coord);

The 3D point is a float or double array of size three with coordinates in {x,y,z} order.