3.17.5 Active Conformer

This section details the API for modal access to conformers.

virtual bool SetActive(OEConfBaseT<C,dim> *conf) = 0
virtual OEConfBaseT<C,dim> *GetActive() const = 0
virtual bool PushActive(OEConfBaseT<C,dim>*conf) = 0
virtual void PopActive() = 0

These four functions can be used to set the OEMCMolBase into a state where it acts as if it is an OEMolBase with coordinates the same as the active conformer (e.g. - the OEMCMolBaseT is put in the ``mode'' of the selected conformer). SetActive makes the conformer passed in become the active conformer. The conformer passed in must already be a member of the OEMCMolBase. GetActive() returns the currently active conformer. These two functions are often sufficient for all the needs of modal access in multi-conformer molecules.

In rare cases, it may be important to maintain a stack of active conformers. For these cases, the PushActive and PopActive functions are defined. PushActive makes the new conf the active conformer and pushed the previous active conformer down the stack. PopActive removes the top active conformer from the active stack and makes the next highest conformer in the stack active.

				OEChem - API Manual Version 1.3.1

				OEChem - API Manual Version 1.3.1