C++ Data::AddData方法代码示例

void ProcessWebInterfaceModels() {
	string Filename(GetParameter("web interface model directory"));
	Filename.append("ModelList.txt");
	vector<string> Lines = ReadStringsFromFile(Filename,false);

	//this database will hold a combination of all of the model compounds and reactions
	Data* CompleteDatabase = new Data(0);

	//the following structures will hold the data for the various models as they are read in
	vector<Data*> Models;
	vector< map<string, Identity*, std::less<string> > > ModelGenes;
	map<string, vector<string>, std::less<string> > ReactionGenes;
	map<string, vector<string>, std::less<string> > ReactionModels;
	map<string, vector<string>, std::less<string> > CompoundModels;
	//Reading in the models and storing the data in the above structures
	for (int i=1; i < int(Lines.size()); i++) {
		cout << i << endl;
		//Parsing the model list line
		vector<string>* Strings = StringToStrings(Lines[i], "\t");
		
		if (Strings->size() >= 4) {
			Filename.assign(GetParameter("web interface model directory"));
			Filename.append((*Strings)[3]);
		}

		//Loading each model from the combined model file
		if (FileExists(Filename)) {
			map<string, Identity*, std::less<string> > CurrentGeneData;
			ModelGenes.push_back(CurrentGeneData);
			Data* NewData = new Data(0);
			Models.push_back(NewData);
			NewData->AddData("NAME",(*Strings)[0].data(),STRING);
			NewData->AddData("AUTHORS",(*Strings)[1].data(),STRING);
			NewData->AddData("ORGANISMS NAME",(*Strings)[2].data(),STRING);
			NewData->AddData("FILENAME",(*Strings)[3].data(),STRING);
			NewData->LoadSystem(Filename);
			//Loading additional data on compounds and reactions from the centralized database
			int TotalTransported = 0;
			for (int j=0; j < NewData->FNumSpecies(); j++) {
				if (NewData->GetSpecies(j)->FExtracellular()) {
					TotalTransported++;
				}
				NewData->GetSpecies(j)->LoadSpecies(NewData->GetSpecies(j)->GetData("DATABASE",STRING));
				CompoundModels[NewData->GetSpecies(j)->Query("CGI_ID")].push_back((*Strings)[0]);
				if (CompleteDatabase->FindSpecies("DATABASE;CGI_ID",NewData->GetSpecies(j)->Query("CGI_ID").data()) == NULL && CompleteDatabase->FindSpecies("DATABASE;CGI_ID",NewData->GetSpecies(j)->GetData("DATABASE",STRING).data()) == NULL) {
					CompleteDatabase->AddSpecies(NewData->GetSpecies(j));
				}
			}
			//Note that the reaction equation that was read in was cleared in favor of the database equation... this could lead to problems
			int TotalReactionsWithGenes = 0;
			for (int j=0; j < NewData->FNumReactions(); j++) {
				NewData->GetReaction(j)->LoadReaction(NewData->GetReaction(j)->GetData("DATABASE",STRING));
				ReactionModels[NewData->GetReaction(j)->Query("CGI_ID")].push_back((*Strings)[0]);
				//Capturing the gene data for entry into the gene hash
				vector<string> GeneData = NewData->GetReaction(j)->GetAllData("ASSOCIATED PEG",DATABASE_LINK);
				if (GeneData.size() > 0) {
					TotalReactionsWithGenes++;
				}
				for (int k=0; k < int(GeneData.size()); k++) {
					//Adding the gene to the reaction gene hash
					string GeneName((*Strings)[2]);
					GeneName.append(":");
					GeneName.append(GeneData[k]);
					ReactionGenes[NewData->GetReaction(j)->Query("CGI_ID")].push_back(GeneName);
					//Finding the gene and creating a new gene if the gene does not currently exist
					Identity* CurrentGene = ModelGenes[ModelGenes.size()-1][GeneData[k]];
					if (CurrentGene == NULL) {
						CurrentGene = new Identity;
						ModelGenes[ModelGenes.size()-1][GeneData[k]] = CurrentGene;
					}
					//Adding the reaction data to the gene data
					CurrentGene->AddData("REACTIONS",NewData->GetReaction(j)->Query("CGI_ID").data(),STRING);
					vector<string> EnzymeData = NewData->GetReaction(j)->GetAllData("ENZYME",DATABASE_LINK);
					for (int l=0; l < int(EnzymeData.size()); l++) {
						CurrentGene->AddData("ENZYME",EnzymeData[l].data(),STRING);
					}
					EnzymeData = NewData->GetReaction(j)->GetAllData("PATHWAYS",STRING);
					for (int l=0; l < int(EnzymeData.size()); l++) {
						CurrentGene->AddData("PATHWAY",EnzymeData[l].data(),STRING);
					}

				}
				//Adding all unique reactions to the complete database
				if (CompleteDatabase->FindReaction("DATABASE;CGI_ID",NewData->GetReaction(j)->Query("CGI_ID").data()) == NULL && CompleteDatabase->FindReaction("DATABASE;CGI_ID",NewData->GetReaction(j)->GetData("DATABASE",STRING).data()) == NULL) {
					CompleteDatabase->AddReaction(NewData->GetReaction(j));
				}
			}
			//Searching the model for dead compounds and reactions
			NewData->FindDeadEnds();
			NewData->AddData("TRANSPORTED COMPOUNDS",double(TotalTransported));
			NewData->AddData("REACTION WITH GENES",double(TotalReactionsWithGenes));
		}

		delete Strings;
	}

	//Printing the combined compounds table
	Filename.assign(GetParameter("web interface model directory"));
	Filename.append("AllCompoundsTable.txt");
	ofstream CompleteOutput;
//.........这里部分代码省略.........

void LoadDatabaseFile(const char* DatabaseFilename) {
	if (GetParameter("Network output location").compare("none") != 0 && GetParameter("Network output location").length() > 0) {
		if (GetParameter("os").compare("windows") == 0) {
			system(("move "+GetDatabaseDirectory(GetParameter("database"),"output directory")+GetParameter("output folder")+" "+GetParameter("Network output location")).data());
		} else {
			system(("cp -r "+GetDatabaseDirectory(GetParameter("database"),"output directory")+GetParameter("output folder")+" "+GetParameter("Network output location")).data());
		}
	}
	
	//Getting filename that all compound and reaction data will be saved into
	string Filename(DatabaseFilename);	
	if (Filename.length() == 0) {
		Filename = AskString("Input filename for database: ");
	}
	
	//Creating datastructure for all program data
	Data* NewData = new Data(0);
	NewData->ClearData("NAME",STRING);
	NewData->AddData("NAME",RemoveExtension(RemovePath(Filename)).data(),STRING);

	//Loading data from file
	if (NewData->LoadSystem(Filename) == FAIL) {
		delete NewData;
		return;
	}
	//Performing a variety of tasks according to the parameters in the parameters files including KEGG lookup, reaction and compound printing etc.
	NewData->PerformAllRequestedTasks();
	// Test for Adjustment of DeltaGs for PH for COMPOUNDS
	bool TestCpds = 0;

	if (TestCpds){

		double IonicS = 0.25;
		FErrorFile() << "Std Transformed Gibbs Energy of Formation vs pH" << endl;
		
		for (int i=0; i < NewData->FNumSpecies(); i++){
			
			string CompoundID = NewData->GetSpecies(i)->GetData("DATABASE",STRING); // gets the cpdID
			string Name = NewData->GetSpecies(i)->GetData("NAME",STRING); // gets the name of the cpd

			Species* Temp = NewData->FindSpecies("DATABASE",CompoundID.data());
			
			//if (CompoundID.compare("cpd00003") == 0 || CompoundID.compare("cpd00004") == 0 || CompoundID.compare("cpd00002") == 0) {
			double AdjDeltaG5 = Temp->AdjustedDeltaG(IonicS,5,298.15);
			double AdjDeltaG5_kJ = 4.184*AdjDeltaG5;

			double AdjDeltaG6 = Temp->AdjustedDeltaG(IonicS,6,298.15);
			double AdjDeltaG6_kJ = 4.184*AdjDeltaG6;

			double AdjDeltaG7 = Temp->AdjustedDeltaG(IonicS,7,298.15);
			double AdjDeltaG7_kJ = 4.184*AdjDeltaG7;

			double AdjDeltaG8 = Temp->AdjustedDeltaG(IonicS,8,298.15);
			double AdjDeltaG8_kJ = 4.184*AdjDeltaG8;

			double AdjDeltaG9 = Temp->AdjustedDeltaG(IonicS,9,298.15);
			double AdjDeltaG9_kJ = 4.184*AdjDeltaG9;

			FErrorFile() << CompoundID << "\t" << AdjDeltaG5_kJ << "\t" << AdjDeltaG6_kJ << "\t" << AdjDeltaG7_kJ << "\t" << AdjDeltaG8_kJ << "\t" << AdjDeltaG9_kJ << endl;
			//}
		}

		FlushErrorFile();
	}
	// Test for Adjustment of DeltaGs for IONIC STRENGTH for COMPOUNDS
	bool TestCpdsIS = 0;

	if (TestCpdsIS){
	
		FErrorFile() << "Std Transformed Gibbs Energy of Formation vs Ionic Strength" << endl;

		for (int i=0; i < NewData->FNumSpecies(); i++){

			string CompoundID = NewData->GetSpecies(i)->GetData("DATABASE",STRING); // gets the cpdID
			string Name = NewData->GetSpecies(i)->GetData("NAME",STRING); // gets the name of the cpd

			Species* Temp = NewData->FindSpecies("DATABASE",CompoundID.data());

			double AdjDeltaG_IS0 = Temp->AdjustedDeltaG(0,7,298.15);
			double AdjDeltaG_IS0_kJ = 4.184*AdjDeltaG_IS0;

			double AdjDeltaG_IS10 = Temp->AdjustedDeltaG(0.1,7,298.15);
			double AdjDeltaG_IS10_kJ = 4.184*AdjDeltaG_IS10;

			double AdjDeltaG_IS25 = Temp->AdjustedDeltaG(0.25,7,298.15);
			double AdjDeltaG_IS25_kJ = 4.184*AdjDeltaG_IS25;

			FErrorFile() << CompoundID << "\t" << AdjDeltaG_IS0_kJ << "\t" << AdjDeltaG_IS10_kJ << "\t" << AdjDeltaG_IS25_kJ << endl;
		
		}

		FlushErrorFile();
	}
	// Test for Adjustment of DeltaGs for pH for REACTIONS
	bool TestRxns = 0;

	if (TestRxns){
		
		double IonicS = 0.25;
		//double pH = 7;
//.........这里部分代码省略.........