Changeset 7f570c for src/Parser/Psi3Parser_Parameters.cpp

Timestamp:

Oct 17, 2011, 4:56:37 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, Candidate_v1.7.0, 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:

032f31

Parents:

f758dd

git-author:

Frederik Heber <heber@…> (10/06/11 11:12:35)

git-committer:

Frederik Heber <heber@…> (10/17/11 16:56:37)

Message:

Moved operator<<() and operator>>() from Mpqc/Psi3Parser_Parameters into FormatParser_Parameters.

• setting and getting of values are generalized.

File:

• src/Parser/Psi3Parser_Parameters.cpp (modified) (2 diffs)

src/Parser/Psi3Parser_Parameters.cpp

@@ -18 +18 @@
 #endif
 
-#include <iostream>
-#include <boost/tokenizer.hpp>
+#include "CodePatterns/MemDebug.hpp"
+
 #include <string>
 
-#include "CodePatterns/MemDebug.hpp"
-
+#include "CodePatterns/Assert.hpp"
 #include "CodePatterns/Log.hpp"
 
@@ -254 +253 @@
 }
 
-///** Getter for name of a specific Parameter.
-// *
-// * @param param index among enum Theory
-// * @return name of the desired Theory
-// */
-//const std::string &Psi3Parser_Parameters::getTheoryName(const enum Theory theory) const
-//{
-//  return ValidTheories[theory];
-//}
-//
-///** Getter for the name of specific of IntegrationMethod.
-// *
-// * @param param index among enum IntegrationMethod
-// * @return value of the desired IntegrationMethod
-// */
-//const std::string &Psi3Parser_Parameters::getIntegrationMethodName(const enum IntegrationMethod integration) const
-//{
-//  return ValidIntegrationMethods[integration];
-//}
-
-
-/** Output operator for the contents of Psi3Parser_Parameters::params.
- *
- * @param ost output stream
- * @param params reference to Psi3Parser_Parameters containing params.
- * @return reference to output stream for concatenation
- */
-std::ostream & operator << (std::ostream& ost, const Psi3Parser_Parameters &params)
-{
-  // this is ugly, but with boost::any to safeguard const-ness is plain impossible
-  std::ostringstream output;
-  for (size_t param = (enum Psi3Parser_Parameters::Parameters)0;
-      param < (size_t)Psi3Parser_Parameters::unknownParam; ++param)
-    output << params.getParameterName((enum Psi3Parser_Parameters::Parameters)param)
-           <<  "=" << params.getParameter((enum Psi3Parser_Parameters::Parameters)param) << ";";
-  ost << output.str();
-  return ost;
-}
-
-/** Input operator for a list of parameters to place into \a params.
- *
- * @param ist input stream
- * @param params parameters to parse into
- * @return input stream for concatenation
- */
-std::istream & operator >> (std::istream& ist, Psi3Parser_Parameters &params)
-{
-  typedef boost::tokenizer<boost::char_separator<char> >
-      tokenizer;
-  boost::char_separator<char> semicolonsep(";");
-  boost::char_separator<char> equalitysep(" =");
-  boost::char_separator<char> ticksep("\"");
-  std::string line;
-  std::getline( ist, line );
-  //DoLog(0) && (Log() << Verbose(0) << "INFO: full line of parameters is '" << line << "'" << std::endl);
-  tokenizer tokens(line, semicolonsep);
-  ASSERT(tokens.begin() != tokens.end(),
-      "operator<< on Psi3Parser_Parameters - empty string, need at least ';' in line "+line+"!");
-  for (tokenizer::iterator tok_iter = tokens.begin();
-        tok_iter != tokens.end(); ++tok_iter) {
-    tokenizer paramtokens(*tok_iter, equalitysep);
-    if (paramtokens.begin() != paramtokens.end()) {
-      tokenizer::iterator tok_paramiter = paramtokens.begin();
-      tokenizer::iterator tok_valueiter = tok_paramiter;
-      tokenizer::iterator tok_checkiter = ++tok_valueiter;
-      ++tok_checkiter;
-      // TODO: throw exception instead of ASSERT
-      ASSERT(tok_paramiter != paramtokens.end(),
-          "operator<< on Psi3Parser_Parameters - missing value before ' =' in token "+*tok_iter+"!");
-      ASSERT(tok_valueiter != paramtokens.end(),
-          "operator<< on Psi3Parser_Parameters - missing value after ' =' in token "+*tok_iter+"!");
-      ASSERT(tok_checkiter == paramtokens.end(),
-          "operator<< on Psi3Parser_Parameters - still more tokens after ' =' in token "+*tok_iter+":"
-          +*tok_checkiter+"!");
-      std::stringstream keystream(*tok_paramiter);
-      std::string key;
-      keystream >> ws >> key;
-      tokenizer ticklesstokens(*tok_valueiter, ticksep);
-      ASSERT(ticklesstokens.begin() != ticklesstokens.end(),
-          "operator<< on Psi3Parser_Parameters - no tokens present after removing ticks in token "+*tok_valueiter+"!");
-      std::stringstream valuestream(*(ticklesstokens.begin()));
-      DoLog(2) && (Log() << Verbose(2)
-          << "INFO: Token pair is " << key << "," << valuestream.str() << std::endl);
-
-      // TODO: throw exception instead of DoeLog()
-      ASSERT(params.haveParameter(key),
-          "operator >> on Psi3Parser_Parameters - unknown parameter name '"
-          +key+"' with value "+valuestream.str()+"!");
-      if (params.haveParameter(key)) {
-        Parameter *instance = params.FormatParser_Parameters::getParameter(key);
-        instance->set(valuestream.str());
-      }
-    } else {
-      ist.setstate(std::ios::eofbit);
-    }
-  }
-  return ist;
-}
-
 /** Checks whether all elements in the world also have parameters in the basis.
  *