Changeset ab4b55 for src/Parser

Timestamp:

Mar 5, 2010, 12:53:13 PM (15 years ago)

Author:

Saskia Metzler <metzler@…>

Branches:

Action_Thermostats, Add_AtomRandomPerturbation, Add_FitFragmentPartialChargesAction, Add_RotateAroundBondAction, Add_SelectAtomByNameAction, Added_ParseSaveFragmentResults, AddingActions_SaveParseParticleParameters, Adding_Graph_to_ChangeBondActions, Adding_MD_integration_tests, Adding_ParticleName_to_Atom, Adding_StructOpt_integration_tests, AtomFragments, Automaking_mpqc_open, AutomationFragmentation_failures, Candidate_v1.5.4, Candidate_v1.6.0, Candidate_v1.6.1, ChangeBugEmailaddress, ChangingTestPorts, ChemicalSpaceEvaluator, CombiningParticlePotentialParsing, Combining_Subpackages, Debian_Package_split, Debian_package_split_molecuildergui_only, Disabling_MemDebug, Docu_Python_wait, EmpiricalPotential_contain_HomologyGraph, EmpiricalPotential_contain_HomologyGraph_documentation, Enable_parallel_make_install, Enhance_userguide, Enhanced_StructuralOptimization, Enhanced_StructuralOptimization_continued, Example_ManyWaysToTranslateAtom, Exclude_Hydrogens_annealWithBondGraph, FitPartialCharges_GlobalError, Fix_BoundInBox_CenterInBox_MoleculeActions, Fix_ChargeSampling_PBC, Fix_ChronosMutex, Fix_FitPartialCharges, Fix_FitPotential_needs_atomicnumbers, Fix_ForceAnnealing, Fix_IndependentFragmentGrids, Fix_ParseParticles, Fix_ParseParticles_split_forward_backward_Actions, Fix_PopActions, Fix_QtFragmentList_sorted_selection, Fix_Restrictedkeyset_FragmentMolecule, Fix_StatusMsg, Fix_StepWorldTime_single_argument, Fix_Verbose_Codepatterns, Fix_fitting_potentials, Fixes, ForceAnnealing_goodresults, ForceAnnealing_oldresults, ForceAnnealing_tocheck, ForceAnnealing_with_BondGraph, ForceAnnealing_with_BondGraph_continued, ForceAnnealing_with_BondGraph_continued_betteresults, ForceAnnealing_with_BondGraph_contraction-expansion, FragmentAction_writes_AtomFragments, FragmentMolecule_checks_bonddegrees, GeometryObjects, Gui_Fixes, Gui_displays_atomic_force_velocity, ImplicitCharges, IndependentFragmentGrids, IndependentFragmentGrids_IndividualZeroInstances, IndependentFragmentGrids_IntegrationTest, IndependentFragmentGrids_Sole_NN_Calculation, JobMarket_RobustOnKillsSegFaults, JobMarket_StableWorkerPool, JobMarket_unresolvable_hostname_fix, MoreRobust_FragmentAutomation, ODR_violation_mpqc_open, PartialCharges_OrthogonalSummation, PdbParser_setsAtomName, PythonUI_with_named_parameters, QtGui_reactivate_TimeChanged_changes, Recreated_GuiChecks, Rewrite_FitPartialCharges, RotateToPrincipalAxisSystem_UndoRedo, SaturateAtoms_findBestMatching, SaturateAtoms_singleDegree, StoppableMakroAction, Subpackage_CodePatterns, Subpackage_JobMarket, Subpackage_LinearAlgebra, Subpackage_levmar, Subpackage_mpqc_open, Subpackage_vmg, Switchable_LogView, ThirdParty_MPQC_rebuilt_buildsystem, TrajectoryDependenant_MaxOrder, TremoloParser_IncreasedPrecision, TremoloParser_MultipleTimesteps, TremoloParser_setsAtomName, Ubuntu_1604_changes, stable

Children:

7dc102

Parents:

57f5cf

Message:

the XYZ parser

Location:

src/Parser

Files:

• ChangeTracker.cpp (moved) (moved from src/ChangeTracker.cpp ) (4 diffs)
• ChangeTracker.hpp (moved) (moved from src/ChangeTracker.hpp )
• FormatParser.cpp (added)
• FormatParser.hpp (moved) (moved from src/FormatParser.hpp ) (1 diff)
• TremoloParser.cpp (moved) (moved from src/TremoloParser.cpp )
• TremoloParser.hpp (moved) (moved from src/TremoloParser.hpp )
• XyzParser.cpp (added)
• XyzParser.hpp (added)

src/Parser/ChangeTracker.cpp

@@ -10 +10 @@
 ChangeTracker* ChangeTracker::instance = NULL;
 
+/**
+ * Constructor. Signs on as an observer for the World.
+ */
 ChangeTracker::ChangeTracker() {
   isConsistent = true;
@@ -15 +18 @@
 }
 
+/**
+ * Destructor. Signs off from the World.
+ */
 ChangeTracker::~ChangeTracker() {
   World::get()->signOff(this);
 }
 
+/**
+ * Returns the change tracker instance.
+ *
+ * \return this
+ */
 ChangeTracker* ChangeTracker::get() {
   if (instance == NULL) {
@@ -27 +38 @@
 }
 
+/**
+ * Destroys the change tracker instance. Be careful, the change tracker is a
+ * singleton and destruction might lead to a loss of consistency.
+ */
 void ChangeTracker::destroy() {
   delete instance;
@@ -32 +47 @@
 }
 
+/**
+ * With this, the World can update the change tracker's state.
+ */
 void ChangeTracker::update(Observable *publisher) {
   isConsistent = false;
 }
 
+/**
+ * Gets whether there are non-saved changes.
+ *
+ * \param true if there are any changes, false otherwise
+ */
 bool ChangeTracker::hasChanged() {
   return !isConsistent;
 }
 
+/**
+ * Tells all observers (which are the different parsers) that they are supposed
+ * to save the current state.
+ */
 void ChangeTracker::saveStatus() {
   if (hasChanged()) {

src/Parser/FormatParser.hpp

@@ -13 +13 @@
 #include "parser.hpp"
 
-using namespace std;
-
+/**
+ * General parser which observes the change tracker.
+ */
 class FormatParser : public Observer {
 public:
   FormatParser();
-  ~FormatParser();
-  virtual void save(char* fileName);
-  virtual void load(char* fileName);
+  virtual ~FormatParser();
+  virtual void save(std::ostream* file)=0;
+  virtual void load(std::istream* file)=0;
+  void setOstream(std::ostream* file);
+  void update(Observable *publisher);
+  void subjectKilled(Observable *publisher);
 
 private:
-  MatrixContainer* readData(char* fileName, int skiplines, int skipcolumns);
-  virtual int getHeaderSize(char identifier);
+  std::ostream* saveStream;
 };