WARNING

This is considered as advanced in OpenEye toolkit usage as an end-user can get. This feature is beta, so any feedback is much appreciated. Have fun hacking!

Quick start to building and installing the MolWt example

The extension directory comes with a simple example of writing a function to calculate molecular weight in OEChem C++ and then exposing it to PyOEChem scripts. The function being wrapped is ExampleCalcMolWt in molwt.cpp. The function is accessed through the example module (see molwt.py).

1. install C++ compiler
2. install SWIG 3.0.2
3. untar OpenEye Python distribution into source tree
4. untar OpenEye C++ distribution into source tree
5. ./configure
6. make
7. ctest
8. python molwt.py