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class OEInternalToCartesian
The OEInternalToCartesian class provides a convenient mechanism for converting a sequence of internal coordinates (defined as lengths, angles and torsions to the previous three atoms) to Cartesian x, y, z coordinates.
void reset()
Reset the OEInternalToCartesian class to its initial state.
void update(float *coord)
Convert the given internal coordinates to Cartesian x, y, z coordinates in-place. On input, coord[0] should contain the distance to the previous atom position or location, coord[1] the angle to the two previous locations and coord[2] the signed torsion to the previous three locations. Upon return, coord[0] contains the x coordinate, coord[1] the y coordinate and coord[2] the z coordinate in Cartesian space.
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