Changeset 7f570c for src/Parser/FormatParser_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, 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/FormatParser_Parameters.cpp (modified) (2 diffs)

src/Parser/FormatParser_Parameters.cpp

@@ -20 +20 @@
 #include "CodePatterns/MemDebug.hpp"
 
+#include <iostream>
+#include <boost/algorithm/string.hpp>
+#include <boost/tokenizer.hpp>
+#include <sstream>
 #include <string>
+
+#include "CodePatterns/Assert.hpp"
+#include "CodePatterns/Log.hpp"
 
 #include "Parameters/Parameter.hpp"
@@ -106 +113 @@
   return storage->getByName(_name);
 }
+
+/** Output operator for the contents of FormatParser_Parameters::params.
+ *
+ * @param ost output stream
+ * @param params reference to FormatParser_Parameters containing params.
+ * @return reference to output stream for concatenation
+ */
+std::ostream & operator << (std::ostream& ost, const FormatParser_Parameters &params)
+{
+  // this is ugly, but with boost::any to safeguard const-ness is plain impossible
+  std::ostringstream output;
+  ASSERT(params.storage != NULL,
+      "operator<<(FormatParser_Parameters) - storage is NULL.");
+  for (ParameterStorage::const_iterator iter = params.storage->getBeginIter();
+      iter != params.storage->getEndIter();
+      ++iter)
+    output << iter->first
+           <<  "=" << iter->second->get() << ";";
+  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, FormatParser_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 FormatParser_Parameters - empty string, need at least ';' in line "+line+"!");
+  for (tokenizer::iterator tok_iter = tokens.begin();
+        tok_iter != tokens.end(); ++tok_iter) {
+    //LOG(2, "INFO: (key,value) pair is: " << *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;
+      LOG(3, "INFO: key is '" << *tok_paramiter << "', value is '" << *tok_valueiter << "'.");
+      // TODO: throw exception instead of ASSERT
+      ASSERT(tok_paramiter != paramtokens.end(),
+          "operator<< on FormatParser_Parameters - missing value before ' =' in token "+*tok_iter+"!");
+      ASSERT(tok_valueiter != paramtokens.end(),
+          "operator<< on FormatParser_Parameters - missing value after ' =' in token "+*tok_iter+"!");
+      ASSERT(tok_checkiter == paramtokens.end(),
+          "operator<< on FormatParser_Parameters - still more tokens after ' =' in token "+*tok_iter+":"
+          +*tok_checkiter+"!");
+      std::string key(*tok_paramiter);
+      std::string value(*tok_valueiter);
+      boost::trim(key);
+      boost::trim(value);
+      tokenizer ticklesstokens(value, ticksep);
+      ASSERT(ticklesstokens.begin() != ticklesstokens.end(),
+          "operator<< on FormatParser_Parameters - no tokens present after removing ticks in token "+*tok_valueiter+"!");
+      std::stringstream valuestream(*(ticklesstokens.begin()));
+      //LOG(2, "INFO: Token pair is " << key << "," << valuestream.str());
+
+      // TODO: throw exception instead of DoeLog()
+      ASSERT(params.haveParameter(key),
+          "operator >> on FormatParser_Parameters - unknown parameter name '"
+          +key+"' with value "+valuestream.str()+"!");
+      if (params.haveParameter(key)) {
+        Parameter *instance = params.getParameter(key);
+        instance->set(valuestream.str());
+      }
+    } else {
+      ist.setstate(std::ios::eofbit);
+    }
+  }
+  return ist;
+}