Hi Kasper, Only the public API is available to users. This is by design.
If you think that these functions should be added to the public API, can you provide an example of why this would be useful, and it will be added in the next version of Open Babel that changes the API. In the meanwhile, you can get around this by moving those functions to the public section and recompiling. - Noel On 5 November 2010 17:48, Kasper Thofte <[email protected]> wrote: > Dear All > > I am trying to modiy the gradient of a FF energy function during a conjugate > gradient search using the AddGradient() function. Basically, it seems that > it's impossible to use any protected member functions from Python, since I > get the following error message: > > AttributeError: 'OBForceField' object has no attribute 'AddGradient' > > This is also the case when I try GetGradient, another protected function. Is > there any way to get around this issue? > > Best regards., > Kasper Thofte > > ------------------------------------------------------------------------------ > Centralized Desktop Delivery: Dell and VMware Reference Architecture > Simplifying enterprise desktop deployment and management using > Dell EqualLogic storage and VMware View: A highly scalable, end-to-end > client virtualization framework. Read more! > http://p.sf.net/sfu/dell-eql-dev2dev > _______________________________________________ > OpenBabel-discuss mailing list > [email protected] > https://lists.sourceforge.net/lists/listinfo/openbabel-discuss > > ------------------------------------------------------------------------------ Centralized Desktop Delivery: Dell and VMware Reference Architecture Simplifying enterprise desktop deployment and management using Dell EqualLogic storage and VMware View: A highly scalable, end-to-end client virtualization framework. Read more! http://p.sf.net/sfu/dell-eql-dev2dev _______________________________________________ OpenBabel-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
