source: src/ConfigFileBuffer.hpp@ ba9f5b

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Last change on this file since ba9f5b was 43dad6, checked in by Frederik Heber <heber@…>, 15 years ago

Introducing (but not yet incorporated) FormatParser specializations for MPQC and PCP config files.

  • new modules MpqcParser.[ch]pp and PcpParser.[ch]pp.
  • class MpqcParser:
    • just a skeleton so far
  • class PcpParser:
    • load and save basically adapted from config::Load and config::Save.
    • new functions OutputAtoms() and OutputElements() from molecule::Output() and molecule::CheckOut().
    • ne function ParseThermostats() - as the parsing is specific to the format it should be handled by the FormatParser, not bz ThermoStatContainer.
    • most of the variables from config placed into struct to put them into groups (for later splitting up load&save into subfunctions).
  • new overload ConfigFileBuffer::InitFileBuffer() accepting streams (FormatParser works on streams, config still with filenames).
  • World: new member Thermostats which contains all thermostat parameters with getter function.
  • ThermoStatContainer::ParseThermostats() moved over to PcpParser and re-introduced in config.
  • atom::OutputArrayIndexed() now works on ostream, not ofstream.
  • molecule::Output() adapted to ostream change.
  • Property mode set to 100644
File size: 1.1 KB
Line 
1/*
2 * ConfigFileBuffer.hpp
3 *
4 * Created on: 12.06.2010
5 * Author: heber
6 */
7
8#ifndef CONFIGFILEBUFFER_HPP_
9#define CONFIGFILEBUFFER_HPP_
10
11
12/*********************************************** includes ***********************************/
13
14// include config.h
15#ifdef HAVE_CONFIG_H
16#include <config.h>
17#endif
18
19#include <iostream>
20
21/****************************************** forward declarations *****************************/
22
23/********************************************** declarations *******************************/
24
25class ConfigFileBuffer {
26 public:
27 char **buffer;
28 int *LineMapping;
29 int CurrentLine;
30 int NoLines;
31
32 ConfigFileBuffer();
33 ConfigFileBuffer(const char * const filename);
34 ~ConfigFileBuffer();
35
36 void InitFileBuffer(const char * const filename);
37 void InitFileBuffer(std::istream *file);
38 void MapIonTypesInBuffer(const int NoAtoms);
39
40private:
41
42 /*
43 * Whether LineMapping is allocated or not.
44 */
45 bool MappingAllocated;
46
47 void InitMapping();
48 void RemoveMapping();
49 void RemoveBuffer();
50};
51
52
53#endif /* CONFIGFILEBUFFER_HPP_ */
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