Changeset 266875

Timestamp:

Feb 4, 2011, 6:56:38 PM (14 years ago)

Author:

Frederik Heber <heber@…>

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:

72d108

Parents:

15f6e9

git-author:

Frederik Heber <heber@…> (02/01/11 11:09:17)

git-committer:

Frederik Heber <heber@…> (02/04/11 18:56:38)

Message:

FIX: ParserError did not adhere to naming convention.

• excepetions are suffixed with ...Exception.
• also, ParseError does not suggest that it is a _formula_ parser error.
• renamed to FormulaStringParseException.

Location:

src

Files:

• Descriptors/MoleculeFormulaDescriptor.cpp (modified) (1 diff)
• Descriptors/MoleculeFormulaDescriptor.hpp (modified) (1 diff)
• Exceptions/FormulaStringParseException.cpp (moved) (moved from src/Exceptions/ParseError.cpp ) (2 diffs)
• Exceptions/FormulaStringParseException.hpp (moved) (moved from src/Exceptions/ParseError.hpp ) (2 diffs)
• Exceptions/Makefile.am (modified) (2 diffs)
• Formula.cpp (modified) (6 diffs)
• Formula.hpp (modified) (3 diffs)
• unittests/FormulaUnitTest.cpp (modified) (1 diff)

src/Descriptors/MoleculeFormulaDescriptor.cpp

@@ -42 +42 @@
 }
 
-MoleculeDescriptor MoleculeByFormula(const std::string &_formula) throw(ParseError){
+MoleculeDescriptor MoleculeByFormula(const std::string &_formula) throw(FormulaStringParseException){
   Formula formula(_formula);
   return MoleculeByFormula(formula);

src/Descriptors/MoleculeFormulaDescriptor.hpp

@@ -16 +16 @@
 
 #include "Descriptors/MoleculeDescriptor.hpp"
-#include "Exceptions/ParseError.hpp"
+#include "Exceptions/FormulaStringParseException.hpp"
 
 class Formula;
 
 MoleculeDescriptor MoleculeByFormula(const Formula&);
-MoleculeDescriptor MoleculeByFormula(const std::string&) throw(ParseError);
+MoleculeDescriptor MoleculeByFormula(const std::string&) throw(FormulaStringParseException);
 
 #endif /* MOLECULEFORMULADESCRIPTOR_HPP_ */

src/Exceptions/FormulaStringParseException.cpp

@@ -7 +7 @@
 
 /*
- * ParseError.cpp
+ * FormulaStringParseException.cpp
  *
  *  Created on: Jul 21, 2010
@@ -20 +20 @@
 #include "CodePatterns/MemDebug.hpp"
 
-#include "ParseError.hpp"
+#include "FormulaStringParseException.hpp"
 
-ParseError::ParseError(std::string file, int line) :
+FormulaStringParseException::FormulaStringParseException(std::string file, int line) :
   CustomException(file,line)
 {}
 
-ParseError::~ParseError() throw(){}
+FormulaStringParseException::~FormulaStringParseException() throw(){}
 
-const char* ParseError::what() const throw(){
+const char* FormulaStringParseException::what() const throw(){
   return "Could not parse string";
 }

src/Exceptions/FormulaStringParseException.hpp

@@ -1 +1 @@
 /*
- * ParseError.hpp
+ * FormulaStringParseException.hpp
  *
  *  Created on: Jul 21, 2010
@@ -17 +17 @@
 #include "Exceptions/CustomException.hpp"
 
-class ParseError : public CustomException
+class FormulaStringParseException : public CustomException
 {
 public:
-  ParseError(std::string file, int line);
-  virtual ~ParseError() throw();
+  FormulaStringParseException(std::string file, int line);
+  virtual ~FormulaStringParseException() throw();
 
   virtual const char* what() const throw();

src/Exceptions/Makefile.am

@@ -16 +16 @@
   NotOnSurfaceException.cpp \
   ShapeException.cpp \
-  ParseError.cpp \
+  FormulaStringParseException.cpp \
   SkewException.cpp \
   ZeroVectorException.cpp
@@ -29 +29 @@
   NotInvertibleException.hpp \
   NotOnSurfaceException.hpp \
-  ParseError.hpp \
+  FormulaStringParseException.hpp \
   SkewException.hpp \
   ZeroVectorException.hpp

src/Formula.cpp

@@ -68 +68 @@
 }
 
-void Formula::fromString(const std::string &formula) throw(ParseError){
+void Formula::fromString(const std::string &formula) throw(FormulaStringParseException){
   // make this transactional, in case an error is thrown
   Formula res;
@@ -77 +77 @@
 }
 
-int Formula::parseMaybeNumber(string::const_iterator &it,string::const_iterator &end) throw(ParseError){
+int Formula::parseMaybeNumber(string::const_iterator &it,string::const_iterator &end) throw(FormulaStringParseException){
   static const range<char> Numbers = makeRange('0',static_cast<char>('9'+1));
   int count = 0;
@@ -87 +87 @@
 }
 
-void Formula::parseFromString(string::const_iterator &it,string::const_iterator &end,char delimiter) throw(ParseError){
+void Formula::parseFromString(string::const_iterator &it,string::const_iterator &end,char delimiter) throw(FormulaStringParseException){
   // some constants needed for parsing... Assumes ASCII, change if other encodings are used
   static const range<char> CapitalLetters = makeRange('A',static_cast<char>('Z'+1));
@@ -103 +103 @@
       sub.parseFromString(++it,end,nextdelim);
       if(!sub.getElementCount()){
-        throw(ParseError(__FILE__,__LINE__));
+        throw(FormulaStringParseException(__FILE__,__LINE__));
       }
       int count = parseMaybeNumber(++it,end);
@@ -112 +112 @@
     // Atom names start with a capital letter
     if(!CapitalLetters.isInRange(*it))
-      throw(ParseError(__FILE__,__LINE__));
+      throw(FormulaStringParseException(__FILE__,__LINE__));
     shorthand+=(*it++);
     // the rest of the name follows
@@ -120 +120 @@
     // test if the shorthand exists
     if(!World::getInstance().getPeriode()->FindElement(shorthand))
-      throw(ParseError(__FILE__,__LINE__));
+      throw(FormulaStringParseException(__FILE__,__LINE__));
     // done, we can get the next one
     addElements(shorthand,count);
   }
   if(it==end && delimiter!=0){
-    throw(ParseError(__FILE__,__LINE__));
+    throw(FormulaStringParseException(__FILE__,__LINE__));
   }
 }

src/Formula.hpp

@@ -19 +19 @@
 #include <iterator>
 
-#include "Exceptions/ParseError.hpp"
+#include "Exceptions/FormulaStringParseException.hpp"
 
 #include "types.hpp"
@@ -71 +71 @@
 
   std::string toString() const;
-  void fromString(const std::string&) throw(ParseError);
+  void fromString(const std::string&) throw(FormulaStringParseException);
   bool checkOut(std::ostream*) const;
 
@@ -112 +112 @@
 
 private:
-  void parseFromString(std::string::const_iterator&,std::string::const_iterator&,char) throw(ParseError);
-  int parseMaybeNumber(std::string::const_iterator &it,std::string::const_iterator &end) throw(ParseError);
+  void parseFromString(std::string::const_iterator&,std::string::const_iterator&,char) throw(FormulaStringParseException);
+  int parseMaybeNumber(std::string::const_iterator &it,std::string::const_iterator &end) throw(FormulaStringParseException);
   // this contains all counts of elements in the formula
   // the size of the actual structure might be used in comparisons

src/unittests/FormulaUnitTest.cpp

@@ -246 +246 @@
   }
   {
-    CPPUNIT_ASSERT_THROW(Formula formula("74107"),ParseError);
-    CPPUNIT_ASSERT_THROW(Formula formula("  "),ParseError);
-    CPPUNIT_ASSERT_THROW(Formula formula("nAcL"),ParseError);
-    CPPUNIT_ASSERT_THROW(Formula formula("NAcL"),ParseError);
-    CPPUNIT_ASSERT_THROW(Formula formula("Na Cl"),ParseError);
-    CPPUNIT_ASSERT_THROW(Formula formula("1NaCl"),ParseError);
-    CPPUNIT_ASSERT_THROW(Formula formula("Mag"),ParseError);
-    CPPUNIT_ASSERT_THROW(Formula formula("AgCl)"),ParseError);
-    CPPUNIT_ASSERT_THROW(Formula formula("(Na"),ParseError);
-    CPPUNIT_ASSERT_THROW(Formula formula("(Mag)"),ParseError);
-    CPPUNIT_ASSERT_THROW(Formula formula("MgCl2)"),ParseError);
-    CPPUNIT_ASSERT_THROW(Formula formula("((MgCl2)"),ParseError);
-    CPPUNIT_ASSERT_THROW(Formula formula("(MgCl2))"),ParseError);
-    CPPUNIT_ASSERT_THROW(Formula formula("(MgCl2]"),ParseError);
-    CPPUNIT_ASSERT_THROW(Formula formula("[MgCl2)"),ParseError);
-    CPPUNIT_ASSERT_THROW(Formula formula("N(aCl"),ParseError);
-    CPPUNIT_ASSERT_THROW(Formula formula("Na()Cl"),ParseError);
+    CPPUNIT_ASSERT_THROW(Formula formula("74107"),FormulaStringParseException);
+    CPPUNIT_ASSERT_THROW(Formula formula("  "),FormulaStringParseException);
+    CPPUNIT_ASSERT_THROW(Formula formula("nAcL"),FormulaStringParseException);
+    CPPUNIT_ASSERT_THROW(Formula formula("NAcL"),FormulaStringParseException);
+    CPPUNIT_ASSERT_THROW(Formula formula("Na Cl"),FormulaStringParseException);
+    CPPUNIT_ASSERT_THROW(Formula formula("1NaCl"),FormulaStringParseException);
+    CPPUNIT_ASSERT_THROW(Formula formula("Mag"),FormulaStringParseException);
+    CPPUNIT_ASSERT_THROW(Formula formula("AgCl)"),FormulaStringParseException);
+    CPPUNIT_ASSERT_THROW(Formula formula("(Na"),FormulaStringParseException);
+    CPPUNIT_ASSERT_THROW(Formula formula("(Mag)"),FormulaStringParseException);
+    CPPUNIT_ASSERT_THROW(Formula formula("MgCl2)"),FormulaStringParseException);
+    CPPUNIT_ASSERT_THROW(Formula formula("((MgCl2)"),FormulaStringParseException);
+    CPPUNIT_ASSERT_THROW(Formula formula("(MgCl2))"),FormulaStringParseException);
+    CPPUNIT_ASSERT_THROW(Formula formula("(MgCl2]"),FormulaStringParseException);
+    CPPUNIT_ASSERT_THROW(Formula formula("[MgCl2)"),FormulaStringParseException);
+    CPPUNIT_ASSERT_THROW(Formula formula("N(aCl"),FormulaStringParseException);
+    CPPUNIT_ASSERT_THROW(Formula formula("Na()Cl"),FormulaStringParseException);
   }