Pteros  2.0
Molecular modeling library for human beings!
tpr_file.h
1 /*
2  * This file is a part of
3  *
4  * ============================================
5  * ### Pteros molecular modeling library ###
6  * ============================================
7  *
8  * https://github.com/yesint/pteros
9  *
10  * (C) 2009-2021, Semen Yesylevskyy
11  *
12  * All works, which use Pteros, should cite the following papers:
13  *
14  * 1. Semen O. Yesylevskyy, "Pteros 2.0: Evolution of the fast parallel
15  * molecular analysis library for C++ and python",
16  * Journal of Computational Chemistry, 2015, 36(19), 1480–1488.
17  * doi: 10.1002/jcc.23943.
18  *
19  * 2. Semen O. Yesylevskyy, "Pteros: Fast and easy to use open-source C++
20  * library for molecular analysis",
21  * Journal of Computational Chemistry, 2012, 33(19), 1632–1636.
22  * doi: 10.1002/jcc.22989.
23  *
24  * This is free software distributed under Artistic License:
25  * http://www.opensource.org/licenses/artistic-license-2.0.php
26  *
27 */
28 
29 
30 #pragma once
31 
32 #include "pteros/core/file_handler.h"
33 
34 namespace pteros {
35 
36 
37 class TprFile: public FileHandler {
38 public:
39  TprFile(std::string& fname): FileHandler(fname) {}
40  virtual void open(char open_mode);
41  virtual void close();
42 
43  virtual FileContent get_content_type() const {
44  return FileContent()
45  .atoms(true)
46  .coord(true)
47  .top(true);
48  }
49 
50 protected:
51 
52  virtual void do_write(const Selection &sel, const FileContent& what) {}
53 
54  virtual bool do_read(System *sys, Frame *frame, const FileContent& what);
55 };
56 
57 }
58 
59 
60 
61 
62 
pteros::FileHandler::open
static FileHandler_ptr open(std::string fname, char open_mode)
Recognize file extension, open file for reading or writing and return a file handler.
Definition: file_handler.cpp:131