Example:
import MagicTools
RDFs_ref=MagicTools.ReadRDF('MT1MT2.rdf')
Pots=MagicTools.ReadPot('01.MT1MT2.i010.pot')
RDFs_smpl=MagicTools.ReadMagiC('01.magic.out', iters=(1,2,10))
The first line imports the library, while the rest lines are showing how to call the reading procedures.
The procedures put the data into specified variables: RDFs_ref, Pots, RDFs_smpl.
The first two variables can be considered as a set of RDFs (or Potentials), having all non-bonded,
pairwise and angle-bending distributions (potentials) provided in the file (and the occasional
included files). The third variable, resulting from reading MagiC.core output is a list of RDFs,
where every element of the list is a set of RDFs sampled while given iteration, as specified in
parameter iters. The ReadMagiC, is not limited to reading just RDFs, but it can also
extract potentials, corrected potentials, corrections applied at an iteration, reference RDFs.
Check the procedure references for more details.
NB! Technically speaking, RDFs_ref and Pots are objects of class DFset (RDFs_smpl is a list of DFset objects), which contains basic properties and methods, allowing to deal with such set of function in somewhat simplified manner. For more details check the section referring to [DFset]DFset class.
In addition to reading from the MagiC data files, procedures [LoadDFs]LoadDFs can be used to read intermediate DFs and lists of DFs, which were dumped on disk by [DumpDFs]DumpDFs.