Adding_MD_integration_tests
Adding_StructOpt_integration_tests
AutomationFragmentation_failures
Candidate_v1.6.1
ChemicalSpaceEvaluator
Enhanced_StructuralOptimization
Enhanced_StructuralOptimization_continued
Exclude_Hydrogens_annealWithBondGraph
ForceAnnealing_with_BondGraph
ForceAnnealing_with_BondGraph_contraction-expansion
Gui_displays_atomic_force_velocity
JobMarket_RobustOnKillsSegFaults
JobMarket_StableWorkerPool
PythonUI_with_named_parameters
StoppableMakroAction
TremoloParser_IncreasedPrecision
|
Last change
on this file since 775f3f was 41a467, checked in by Frederik Heber <heber@…>, 13 years ago |
|
LARGE: config class is now just a tiny container.
- this was loooooobg overdue. Config.cpp contained remnants from parsing pcp
files and much else. Also fragmentation depended on it. Since refactoring
of MoleculeListClass and the fragmentation, we don't need it anymore.
- helper functions ParseForParameters(), LoadMolecule() extracted into new
module PcpParser_helper.
- config class now just contains 4 variables that are generally required
(especially IsAngstroem) and they should probably remain with the world.
- removed some places where config.hpp was no unnecessarily included.
- Moved ConfigFileBuffer.* over to subfolder src/Parser/ where it rather
belongs (associated with PcpParser).
|
-
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 <iosfwd>
|
|---|
| 20 |
|
|---|
| 21 | /****************************************** forward declarations *****************************/
|
|---|
| 22 |
|
|---|
| 23 | /********************************************** declarations *******************************/
|
|---|
| 24 |
|
|---|
| 25 | class 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 |
|
|---|
| 40 | private:
|
|---|
| 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_ */
|
|---|
Note:
See
TracBrowser
for help on using the repository browser.
