Merge branch 'master' of https://github.com/RuleWorld/nfsim

RuleWorld · Mar 16, 2023 · 766c280 · 766c280
2 parents b99398c + 8c3e64f
commit 766c280
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Showing 3 changed files with 15 additions and 8 deletions.
diff --git a/src/NFcore/NFcore.hh b/src/NFcore/NFcore.hh
@@ -1012,8 +1012,8 @@ namespace NFcore
 			static void bind(Molecule *m1, string compName1, Molecule *m2, string compName2);
 			// AS2023 - unbind now returns the indices of the molecule that's selected
 			// for the unbinding for recording/logging purposesz
-			static tuple<int, int> unbind(Molecule *m1, int bSiteIndex);
-			static tuple<int, int> unbind(Molecule *m1, char * bSiteName);
+			static vector<int> unbind(Molecule *m1, int bSiteIndex);
+			static vector<int> unbind(Molecule *m1, char * bSiteName);
 
 
 			/* functions needed to traverse a complex and get all components

diff --git a/src/NFcore/molecule.cpp b/src/NFcore/molecule.cpp
@@ -556,7 +556,7 @@ void Molecule::bind(Molecule *m1, string compName1, Molecule *m2, string compNam
 
 // AS2023 - unbind can return the index of the molecule and component it
 // selected for the unbinding for tracking purposes
-tuple<int, int> Molecule::unbind(Molecule *m1, int cIndex)
+vector<int> Molecule::unbind(Molecule *m1, int cIndex)
 {
 	//get the other molecule bound to this site
 	//cout<<"I am here. "<<bSiteIndex<<endl;
@@ -593,11 +593,14 @@ tuple<int, int> Molecule::unbind(Molecule *m1, int cIndex)
 	//cout<<" UnBinding!  mol1 complex: ";
 	//m1->getComplex()->printDetails();
 
-	// AS2023 - this now returns what is unbound in a tuple
-	return make_tuple(m2->getUniqueID(), cIndex2);
+	// AS2023 - this now returns what is unbound in a vector
+	vector<int> tpl;
+	tpl.push_back(m2->getUniqueID());
+	tpl.push_back(cIndex2);
+	return tpl;
 }
 
-tuple<int, int> Molecule::unbind(Molecule *m1, char * compName)
+vector<int> Molecule::unbind(Molecule *m1, char * compName)
 {
 	int cIndex = m1->getMoleculeType()->getCompIndexFromName(compName);
 	return Molecule::unbind(m1,cIndex);

diff --git a/src/NFreactions/transformations/transformation.cpp b/src/NFreactions/transformations/transformation.cpp
@@ -247,12 +247,16 @@ UnbindingTransform::UnbindingTransform(int cIndex, TemplateMolecule * tm) :
 }
 void UnbindingTransform::apply(Mapping *m, MappingSet **ms)
 {   
-	auto [m2id, c2id] = Molecule::unbind(m->getMolecule(),m->getIndex());
+	vector<int> tpl = Molecule::unbind(m->getMolecule(),m->getIndex());
+	int m2id = tpl[0];
+	int c2id = tpl[1];
 }
 // AS2023 - alternative call sig to store a log of the transform
 void UnbindingTransform::apply(Mapping *m, MappingSet **ms, string &logstr)
 {   //cout<<"unbinding.."<<endl;
-	auto [m2id, c2id] = Molecule::unbind(m->getMolecule(),m->getIndex());
+	vector<int> tpl = Molecule::unbind(m->getMolecule(),m->getIndex());
+	int m2id = tpl[0];
+	int c2id = tpl[1];
 	if (!logstr.empty()) {
 		logstr += "          [\"DeleteBond\","
 		       + to_string(m->getMolecule()->getUniqueID())