LOOS  v2.3.2
psf.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 #if !(defined LOOS_PSF_HPP)
25 #define LOOS_PSF_HPP
26 
27 
28 #include <fstream>
29 #include <stdexcept>
30 
31 #include <loos_defs.hpp>
32 #include <AtomicGroup.hpp>
33 
34 
35 namespace loos {
36 
38 
60  class PSF : public AtomicGroup {
61  public:
62  PSF() { }
63  virtual ~PSF() {}
64 
65  explicit PSF(const std::string& fname) : _max_index(0), _filename(fname) {
66  std::ifstream ifs(fname.c_str());
67  if (!ifs)
68  throw(FileOpenError(fname));
69  read(ifs);
70  }
71 
72  explicit PSF(std::fstream &ifs) : _max_index(0), _filename("stream") {
73  read(ifs);
74  }
75 
76  static pAtomicGroup create(const std::string& fname) {
77  return(pAtomicGroup(new PSF(fname)));
78  }
79 
81  virtual PSF* clone(void) const;
82 
84  PSF copy(void) const;
85 
86  void read(std::istream& is);
87 
88 
89  private:
90 
91  PSF(const AtomicGroup& grp) : AtomicGroup(grp) { }
92  void parseAtomRecord(const std::string s);
93 
94  uint _max_index;
95  std::string _filename;
96  };
97 
98 
99 }
100 
101 #endif
Error while opening a file.
Definition: exceptions.hpp:170
virtual PSF * clone(void) const
Clones an object for polymorphism (see AtomicGroup::clone() for more info)
Definition: psf.cpp:29
PSF copy(void) const
Creates a deep copy (see AtomicGroup::copy() for more info)
Definition: psf.cpp:33
Class for handling groups of Atoms (pAtoms, actually)
Definition: AtomicGroup.hpp:87
Namespace for most things not already encapsulated within a class.
Class for reading a subset of the PSF format.
Definition: psf.hpp:60