Changeset f48622 for molecuilder/src/menu.cpp

Timestamp:

Jan 2, 2010, 3:49:40 PM (16 years ago)

Author:

Tillmann Crueger <crueger@…>

Children:

16f86d

Parents:

c7dcff

Message:

Moved several Methods from Menu to MoleculeListClass

File:

• molecuilder/src/menu.cpp (modified) (1 diff)

molecuilder/src/menu.cpp

@@ -900 +900 @@
 
 void oldmenu::createNewMolecule(periodentafel *periode,MoleculeListClass *molecules) {
-  molecule *mol = NULL;
-  mol = new molecule(periode);
-  molecules->insert(mol);
+  molecules->createNewMolecule(periode);
 };
 
 void oldmenu::loadFromXYZ(periodentafel *periode,MoleculeListClass *molecules){
-  molecule *mol = NULL;
-  Vector center;
-  char filename[MAXSTRINGSIZE];
-  Log() << Verbose(0) << "Format should be XYZ with: ShorthandOfElement\tX\tY\tZ" << endl;
-  mol = new molecule(periode);
-  do {
-    Log() << Verbose(0) << "Enter file name: ";
-    cin >> filename;
-  } while (!mol->AddXYZFile(filename));
-  mol->SetNameFromFilename(filename);
-  // center at set box dimensions
-  mol->CenterEdge(&center);
-  mol->cell_size[0] = center.x[0];
-  mol->cell_size[1] = 0;
-  mol->cell_size[2] = center.x[1];
-  mol->cell_size[3] = 0;
-  mol->cell_size[4] = 0;
-  mol->cell_size[5] = center.x[2];
-  molecules->insert(mol);
+  molecules->loadFromXYZ(periode);
 }
 
 void oldmenu::changeName(MoleculeListClass *molecules){
-  char filename[MAXSTRINGSIZE];
-  molecule *mol = NULL;
-  int nr;
-  do {
-    Log() << Verbose(0) << "Enter index of molecule: ";
-    cin >> nr;
-    mol = molecules->ReturnIndex(nr);
-  } while (mol == NULL);
-  Log() << Verbose(0) << "Enter name: ";
-  cin >> filename;
-  strcpy(mol->name, filename);
+  molecules->changeName();
 }
 
 void oldmenu::setMoleculeFilename(MoleculeListClass *molecules) {
-  char filename[MAXSTRINGSIZE];
-  int nr;
-  molecule *mol = NULL;
-  do {
-    Log() << Verbose(0) << "Enter index of molecule: ";
-    cin >> nr;
-    mol = molecules->ReturnIndex(nr);
-  } while (mol == NULL);
-  Log() << Verbose(0) << "Enter name: ";
-  cin >> filename;
-  mol->SetNameFromFilename(filename);
+  molecules->setMoleculeFilename();
 }
 
 void oldmenu::parseXYZIntoMolecule(MoleculeListClass *molecules){
-  char filename[MAXSTRINGSIZE];
-  int nr;
-  molecule *mol = NULL;
-  mol = NULL;
-  do {
-   Log() << Verbose(0) << "Enter index of molecule: ";
-   cin >> nr;
-   mol = molecules->ReturnIndex(nr);
-  } while (mol == NULL);
-  Log() << Verbose(0) << "Format should be XYZ with: ShorthandOfElement\tX\tY\tZ" << endl;
-  do {
-   Log() << Verbose(0) << "Enter file name: ";
-   cin >> filename;
-  } while (!mol->AddXYZFile(filename));
-  mol->SetNameFromFilename(filename);
+ molecules->parseXYZIntoMolecule();
 };
 
 void oldmenu::eraseMolecule(MoleculeListClass *molecules){
-  int nr;
-  molecule *mol = NULL;
-  Log() << Verbose(0) << "Enter index of molecule: ";
-  cin >> nr;
-  for(MoleculeList::iterator ListRunner = molecules->ListOfMolecules.begin(); ListRunner != molecules->ListOfMolecules.end(); ListRunner++)
-    if (nr == (*ListRunner)->IndexNr) {
-      mol = *ListRunner;
-      molecules->ListOfMolecules.erase(ListRunner);
-      delete(mol);
-      break;
-    }
+  molecules->eraseMolecule();
 };