CADISHI executables¶
The executables are accessible via the cadishi
command.
The following documentation was automatically generated from the docstrings present in the source code files.
cadishi.exe¶
Cadishi executables invoked via entry points in setup.py.
cadishi.exe.cli¶
Cadishi main executable. Uses argparse to call further code.
This program is not intended to be called directly, rather a user executable cadishi is created via an entry_point in setup.py.
cadishi.exe.histograms¶
Distance histogram calculation driver, task parallel version.
Performs distance histogram calculations using cudh and pydh (or dist). The configuration is read from the parameter file histograms.{json,yaml}.
This program is not intended to be invoked directly. It is launched via cli.py which in turn is called as the cadishi command via an entry_point in setup.py.
-
cadishi.exe.histograms.
check_parameters
(histoparam)[source]¶ Check and sanitize input parameters for the histogram computation.
Together with the <histograms_template.yaml> file, this function needs to be extended with each new parameter that is introduced.
cadishi.exe.unpack¶
Extract data from HDF5 to legacy (NumPy, JSON) text data.
unpack creates a directory structure from the HDF5 file’s group structure and writes the HDF5 datasets to text files located in the correct directories.
The main() function is to be called via cli.py.