Changeset f79d65 for src/Actions

Timestamp:

Jun 19, 2017, 8:24:16 AM (8 years ago)

Author:

Frederik Heber <frederik.heber@…>

Branches:

Action_Thermostats, Add_AtomRandomPerturbation, Add_SelectAtomByNameAction, Adding_Graph_to_ChangeBondActions, Adding_MD_integration_tests, Adding_StructOpt_integration_tests, AutomationFragmentation_failures, Candidate_v1.6.1, ChangeBugEmailaddress, ChemicalSpaceEvaluator, EmpiricalPotential_contain_HomologyGraph_documentation, Enhance_userguide, Enhanced_StructuralOptimization, Enhanced_StructuralOptimization_continued, Example_ManyWaysToTranslateAtom, Exclude_Hydrogens_annealWithBondGraph, Fix_Verbose_Codepatterns, ForceAnnealing_oldresults, ForceAnnealing_with_BondGraph, ForceAnnealing_with_BondGraph_continued, ForceAnnealing_with_BondGraph_continued_betteresults, ForceAnnealing_with_BondGraph_contraction-expansion, GeometryObjects, Gui_displays_atomic_force_velocity, IndependentFragmentGrids_IntegrationTest, JobMarket_RobustOnKillsSegFaults, JobMarket_StableWorkerPool, PythonUI_with_named_parameters, QtGui_reactivate_TimeChanged_changes, Recreated_GuiChecks, StoppableMakroAction, TremoloParser_IncreasedPrecision, TremoloParser_MultipleTimesteps

Children:

1ba51c

Parents:

2eded3e

git-author:

Frederik Heber <heber@…> (03/30/17 21:59:00)

git-committer:

Frederik Heber <frederik.heber@…> (06/19/17 08:24:16)

Message:

Vector(s) are now stored as strings in Querys intermediately.

• they get evaluated first after being stored in a Parameter/Value on request via get().
• Needed to change all Vector(s)..Query's of all UIs and also the general base classes inside Dialog.
• QtQueryList need to be specialized in order to allow a QtQueryList<Vector> to actually store a vector of strings.
• we may use setAsString() in order to set the Parameter thankfully.
• TESTS: All regression tests on Geometry Actions are now working. Removed XFAIL from Options/Session test that use Python, i.e. the ones we marked four commits ago.

Location:

src/Actions

Files:

• Values.cpp (modified) (3 diffs)
• Values.hpp (modified) (1 diff)

src/Actions/Values.cpp

@@ -37 +37 @@
 #include "CodePatterns/Assert.hpp"
 
+#include <boost/lexical_cast.hpp>
+#include <boost/tokenizer.hpp>
+
 #include "Box.hpp"
 #include "LinearAlgebra/BoxVector.hpp"
@@ -44 +47 @@
 #include "Values.hpp"
 
+static const Vector parseAsVector(const std::string &_string)
+{
+  Vector temp;
+  // dissect by ","
+  typedef boost::tokenizer<boost::char_separator<char> > tokenizer;
+  boost::char_separator<char> value_separator(",)(");
+
+  bool status = true;
+  tokenizer tokens(_string, value_separator);
+  if (!_string.empty()) {
+    tokenizer::iterator tok_iter = tokens.begin();
+    for (size_t i=0;i<NDIM;++i) {
+      if (tok_iter == tokens.end()) {
+        status = false;
+        break;
+      }
+      temp[i] = boost::lexical_cast<double>(*(tok_iter++));
+    }
+  }
+  if (!status)
+    temp.Zero();
+
+  return temp;
+}
+
 Vector VectorValue::toVector() const
 {
-  Vector returnVector(vector);
+  Vector returnVector = parseAsVector(vectorstring);
 
   return returnVector;
@@ -54 +82 @@
 {
   BoxVector returnVector;
-  static_cast<Vector>(returnVector) = Vector(vector); // under its hood it's still a Vector
+  static_cast<Vector>(returnVector) = parseAsVector(vectorstring); // under its hood it's still a Vector
 
   ASSERT(_box.isValid(returnVector),

src/Actions/Values.hpp

@@ -27 +27 @@
  * are registered as VectorValue and lateron inside the CommandLineQuery placed
  * into the real vector.
+ *
+ * We use this abstraction also for Geometry Objects, i.e. string names
+ * referencing vectors in the GeomtryRegistry.
  */
 struct VectorValue
 {
-  double vector[NDIM];
+  std::string vectorstring;
 
   Vector toVector() const;