// ## operation writeChemkinReactions(ReactionModel)
// 10/26/07 gmagoon: changed to take temperature as parameter (it doesn't seem like this method is
// currently used anywhere)
public static String writeChemkinReactions(
ReactionModel p_reactionModel, Temperature p_temperature) {
// #[ operation writeChemkinReactions(ReactionModel)
StringBuilder result = new StringBuilder();
result.append("REACTIONS KCAL/MOLE\n");
CoreEdgeReactionModel cerm = (CoreEdgeReactionModel) p_reactionModel;
LinkedHashSet all = cerm.getReactedReactionSet();
HashSet hs = new HashSet();
int numfor = 0;
int numrev = 0;
int numdup = 0;
int numnorev = 0;
for (Iterator iter = all.iterator(); iter.hasNext(); ) {
Reaction rxn = (Reaction) iter.next();
if (rxn.isForward()) {
result.append(
" "
+ rxn.toChemkinString(p_temperature)
+ "\n"); // 10/26/07 gmagoon: changed to avoid use of Global.temperature
// result.append(" " + rxn.toChemkinString(Global.temperature) + "\n");
}
}
result.append("END\n");
return result.toString();
// #]
}
// ## operation setReactantTree(LinkedHashSet)
public void setReactantTree(LinkedHashSet p_treeSet) {
// #[ operation setReactantTree(LinkedHashSet)
if (p_treeSet == null) throw new InvalidReactantTreeException();
int size = p_treeSet.size();
if (size == 0) throw new InvalidReactantTreeException();
Iterator iter = p_treeSet.iterator();
while (iter.hasNext()) {
HierarchyTree tree = (HierarchyTree) iter.next();
addReactantTree(tree);
}
return;
// #]
}