vmd_molfile_plugin_wrapper.h

/*
 * This file is a part of
 *
 * ============================================
 * ###   Pteros molecular modeling library  ###
 * ============================================
 *
 * https://github.com/yesint/pteros
 *
 * (C) 2009-2021, Semen Yesylevskyy
 *
 * All works, which use Pteros, should cite the following papers:
 *
 *  1.  Semen O. Yesylevskyy, "Pteros 2.0: Evolution of the fast parallel
 *      molecular analysis library for C++ and python",
 *      Journal of Computational Chemistry, 2015, 36(19), 1480–1488.
 *      doi: 10.1002/jcc.23943.
 *
 *  2.  Semen O. Yesylevskyy, "Pteros: Fast and easy to use open-source C++
 *      library for molecular analysis",
 *      Journal of Computational Chemistry, 2012, 33(19), 1632–1636.
 *      doi: 10.1002/jcc.22989.
 *
 * This is free software distributed under Artistic License:
 * http://www.opensource.org/licenses/artistic-license-2.0.php
 *
*/
 
#pragma once
 
#include <string>
#include "pteros/core/system.h"
#include "pteros/core/selection.h"
#include "pteros/core/file_handler.h"
#include "molfile_plugin.h"
 
namespace pteros {
 
class VmdMolfilePluginWrapper: public FileHandler {
public:
    // High-level API        
    VmdMolfilePluginWrapper(std::string& fname);
    virtual void open(char open_mode);
    virtual void close();
 
protected:
    void* r_handle; // Handle for reading
    void* w_handle; // Handle for writing
 
    char mode;
 
    virtual bool do_read(System *sys, Frame *frame, const FileContent& what);
    virtual void do_write(const Selection &sel, const FileContent& what);
 
    // molfile plugin instance (set in derived class)
    molfile_plugin_t* plugin;
 
    // Static map of all registered plagins.
    // Filled on first load of the library
    static std::map<std::string,molfile_plugin_t*> molfile_plugins;
};
 
}