C++ interface reference

The full public C++ interface is contained in the chemfiles.hpp header, which should be included in all the programs using chemfiles. All the classes are in the chemfiles namespace, so you may want to use using namespace chemfiles; at the begining of your program in order to bring all the class in the main namespace.

Exported macro

In addition to these functions and classes, chemfiles header also export some macro, using the CHEMFILES_ prefix. The following macro are defined:


An integer containing the major (x.0.0) version number.


An integer containing the minor (0.y.0) version number.


An integer containing the patch (0.0.z) version number.


The full version of chemfiles (“x.y.z”), as a string.