LOOS  v2.3.2
sfactories.hpp
1 /*
2  This file is part of LOOS.
3 
4  LOOS (Lightweight Object-Oriented Structure library)
5  Copyright (c) 2008, Tod D. Romo, Alan Grossfield
6  Department of Biochemistry and Biophysics
7  School of Medicine & Dentistry, University of Rochester
8 
9  This package (LOOS) is free software: you can redistribute it and/or modify
10  it under the terms of the GNU General Public License as published by
11  the Free Software Foundation under version 3 of the License.
12 
13  This package is distributed in the hope that it will be useful,
14  but WITHOUT ANY WARRANTY; without even the implied warranty of
15  MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
16  GNU General Public License for more details.
17 
18  You should have received a copy of the GNU General Public License
19  along with this program. If not, see <http://www.gnu.org/licenses/>.
20 */
21 
22 
23 
24 
25 
26 
27 #if !defined(LOOS_SFACTORIES_HPP)
28 #define LOOS_SFACTORIES_HPP
29 
30 
31 
32 #include <string>
33 
34 #include <loos_defs.hpp>
35 
36 namespace loos {
37 
38  std::string availableSystemFileTypes(const std::string& prefix = "");
39  std::string availableTrajectoryFileTypes(const std::string& prefix = "");
40  std::string availableOutputTrajectoryFileTypes(const std::string& prefix = "");
41 
42  pAtomicGroup createSystemPtr(const std::string& filename, const std::string& filetype);
43  pAtomicGroup createSystemPtr(const std::string& filename);
44 
46 
58  AtomicGroup createSystem(const std::string& filename);
59  AtomicGroup createSystem(const std::string& filename, const std::string& filetype);
60 
62 
72  pTraj createTrajectory(const std::string&, const AtomicGroup&);
73  pTraj createTrajectory(const std::string&, const std::string&, const AtomicGroup&);
74 
75 
76  pTrajectoryWriter createOutputTrajectory(const std::string& filename, const std::string& type, const bool append = false);
77  pTrajectoryWriter createOutputTrajectory(const std::string& filename, const bool append = false);
78 
79 };
80 
81 
82 #endif
AtomicGroup createSystem(const std::string &filename)
Factory function for reading in structure files.
Definition: sfactories.cpp:115
Namespace for most things not already encapsulated within a class.