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lammps/src/python.h
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python.h
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/* -*- c++ -*- ----------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
http://lammps.sandia.gov, Sandia National Laboratories
Steve Plimpton, sjplimp@sandia.gov
Copyright (2003) Sandia Corporation. Under the terms of Contract
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
certain rights in this software. This software is distributed under
the GNU General Public License.
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef LMP_PYTHON_H
#define LMP_PYTHON_H
#include "pointers.h"
namespace LAMMPS_NS {
class PythonInterface {
public:
virtual ~PythonInterface();
virtual void command(int, char **) = 0;
virtual void invoke_function(int, char *) = 0;
virtual int find(char *) = 0;
virtual int variable_match(char *, char *, int) = 0;
virtual char * long_string(int ifunc) = 0;
};
class Python : protected Pointers {
public:
Python(class LAMMPS *);
~Python();
void command(int, char **);
void invoke_function(int, char *);
int find(char *);
int variable_match(char *, char *, int);
char * long_string(int ifunc);
bool is_enabled() const;
void request();
private:
PythonInterface * impl;
void init();
};
}
#endif
#if LMP_PYTHON
#include "python_impl.h"
#endif
/* ERROR/WARNING messages:
E: Invalid python command
Self-explanatory. Check the input script syntax and compare to the
documentation for the command. You can use -echo screen as a
command-line option when running LAMMPS to see the offending line.
E: Python invoke of undefined function
Cannot invoke a function that has not been previously defined.
E: Python variable does not match Python function
This matching is defined by the python-style variable and the python
command.
E: Cannot embed Python when also extending Python with LAMMPS
When running LAMMPS via Python through the LAMMPS library interface
you cannot also user the input script python command.
E: Could not initialize embedded Python
The main module in Python was not accessible.
E: Could not open Python file
The specified file of Python code cannot be opened. Check that the
path and name are correct.
E: Could not process Python file
The Python code in the specified file was not run successfully by
Python, probably due to errors in the Python code.
E: Could not process Python string
The Python code in the here string was not run successfully by Python,
probably due to errors in the Python code.
E: Could not find Python function
The provided Python code was run successfully, but it not
define a callable function with the required name.
E: Python function is not callable
The provided Python code was run successfully, but it not
define a callable function with the required name.
E: Could not create Python function arguments
This is an internal Python error, possibly because the number
of inputs to the function is too large.
E: Could not evaluate Python function input variable
Self-explanatory.
E: Python function evaluation failed
The Python function did not run successfully and/or did not return a
value (if it is supposed to return a value). This is probably due to
some error condition in the function.
*/
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