/*
List<Edit> edits; //everything is stored by edits
public List<Edit> Edits { get { return edits; } set { edits = value; } }
*/
//Records when an edit has occured and what the edit was
//The above structures contain the most updated version of the synthesis
/* <localid>rc1</localid>
<name>benzaldehyde</name>
<refid>aldehyde</refid>
<molweight>106.12</molweight>
<state>solid</state>
<density temp="20">null</density>
<islimiting>true</islimiting>
<mols unit="mmol">57</mols>
<mass unit="g">6</mass>
<volume>null</volume>
* */
public static Synthesis ReadFile(string filename)
{
XmlDocument doc = new XmlDocument();
doc.Load(filename);
XmlNode header = doc.GetElementById("header");
XmlNodeList editHeader = doc.GetElementsByTagName("editheader");
XmlNodeList reactantNodeList = doc.GetElementsByTagName("reactant");
XmlNodeList reagentNodeList = doc.GetElementsByTagName("reagent");
XmlNodeList productNodeList = doc.GetElementsByTagName("product");
ObservableCollection<Compound> reactants = ReadBlock(reactantNodeList, COMPOUND_TYPES.Reactant);
ObservableCollection<Compound> reagents = ReadBlock(reagentNodeList, COMPOUND_TYPES.Reagent);
ObservableCollection<Compound> products = ReadBlock(productNodeList, COMPOUND_TYPES.Product);
string synthName = GetSynthesisName(editHeader);
int projectID = GetSynthesisProjectID(editHeader);
SynthesisInfo previousStep = GetPreviousStep(editHeader);
SynthesisInfo nextStep = GetNextStep(editHeader);
string procedureText = GetProcedureText(editHeader);
Synthesis synth = new Synthesis(reactants, reagents, products, synthName, projectID, previousStep, nextStep, procedureText);
ReadMolData(doc, synth.AllCompounds);
return synth;
}
public AddCompoundForm(Form1 form1, Synthesis synthesis)
{
currentSynthesis = synthesis;
InitializeComponent();
parent = form1;
}
public static void DeleteSynthesisFolder(Synthesis syn, Project project)
{
//Folder names for a synthesis are generated by an index 0-whatever an underscore and the synthesis name, so 0_synthesisname
int projectID = syn.ProjectID;
if (projectID == -1)
{
//the synthesis was not found in the project list, report error
Console.WriteLine("Attempting to delete a syn folder but the synthesis is not present in the current project");
}
string foldername = projectID + "_" + syn.Name;
string folderpath = project.ProjectPath + "\\" + foldername;
Directory.Delete(folderpath, true); //delete the folder and all contents
}
public Form1()
{
InitializeComponent();
FFManager.FirstRunSetup("rap");
currentOpenSyntheses = new List<Synthesis>();
currentSynthesis = new Synthesis();
tabControl.Selecting += new TabControlCancelEventHandler(tabControl_Selecting);
user = new User("rap","Richard Albert Peck","rap");
OpenLastOpenedProject();
}
private void AddNewTabPage(Synthesis synthesis)
{
currentOpenSyntheses.Add(synthesis);
tabControl.TabPages.Add(new TabPage(synthesis.Name));
TabPageControl control = new TabPageControl(this, synthesis);
control.Anchor = (AnchorStyles.Bottom | AnchorStyles.Top);
control.Dock = DockStyle.Fill;
tabControl.TabPages[tabControl.TabPages.Count - 1].Controls.Add(control);
//switch to the new tab
tabControl.SelectTab(tabControl.TabPages[tabControl.TabPages.Count - 1]);
currentSynthesis = currentOpenSyntheses.Last();
}
public TabPageControl(Form1 form1, Synthesis synthesis)
{
InitializeComponent();
baseForm = form1;
//init the synthesis we are showing
currentSynthesis = synthesis;
currentSynthesis.SynthesisChanged += new SynthesisChangedEventHandler(currentSynthesis_SynthesisChanged);
//next the data grid
SetupDataGridView();
//and then the reaction viewer
reactionViewer1.Synth = currentSynthesis;
reactionViewer1.Paint +=new PaintEventHandler(reactionViewer1.paint);
//and finally the textboxes
procedureInputBox.TextChanged += new EventHandler(procedureInputBox_TextChanged);
UpdateControl();
}
public Edit(Synthesis synth, DateTime dt)
{
this.synth = synth;
editTime = dt;
}
public static void SaveSynFile(Synthesis syn, Project project)
{
Header header = new Header(project.ProjectUser.UserID, DateTime.Now, 0);
//Determine the new folder for this synthesis
//Folder names for a synthesis are generated by an index 0-whatever an underscore and the synthesis name, so 0_synthesisname
int index = project.AllSyntheses.IndexOf(syn);
if (index == -1)
{
//the synthesis was not found in the project list, report error
Console.WriteLine("Attempting to save a syn file but the synthesis is not present in the current project");
}
string foldername = index + "_" + syn.Name;
string folderpath = project.ProjectPath + "\\" + foldername;
Directory.CreateDirectory(folderpath);
//Create a folder for spectra
Directory.CreateDirectory(folderpath + "\\spectra");
//and one for the molecules
Directory.CreateDirectory(folderpath + "\\molecules");
//And finally write the syn file
List<Edit> edits = new List<Edit>();
edits.Add(new Edit(syn, DateTime.Now));
SynTypeFileWriter.WriteFile(header, edits, folderpath + "\\" + syn.Name+".syn");
}
public Procedure(Synthesis mySynthesis, string text)
{
this.rawText = text;
MySynthesis = mySynthesis;
}
void tabControl_Selecting(object sender, TabControlCancelEventArgs e)
{
ReactionListViewTabPage reactionListViewTab = e.TabPage.GetChildAtPoint(new Point(0, 0)) as ReactionListViewTabPage;
//if we are looking at a synthesis tab we want to change our current synthesis to that
TabPageControl synthesisTab = e.TabPage.GetChildAtPoint(new Point(0, 0)) as TabPageControl;
if(synthesisTab != null)
currentSynthesis = synthesisTab.currentSynthesis;
}
void synthAddNextDeleteMenu_ItemClicked(object sender, ToolStripItemClickedEventArgs e)
{
TreeNode selectedNode = projectView.SelectedNode;
if (selectedNode == null)
{
Console.WriteLine("Tag is somehow null on an item");
return;
}
Synthesis synthesisToAlter;
//first check if its a folder
SynthesisDirectory synthDir = selectedNode.Tag as SynthesisDirectory;
if (synthDir != null)
synthesisToAlter = synthDir.Synth;
else
synthesisToAlter = selectedNode.Tag as Synthesis;
if (synthesisToAlter == null)
return;
if (e.ClickedItem.Text == "Add Next Step")
{
InputDialog inputDialog = new InputDialog("Enter a name for the new synthesis");
if (inputDialog.ShowDialog() == DialogResult.OK)
{
while (string.IsNullOrEmpty(inputDialog.Input))
{
if (inputDialog.ShowDialog() == DialogResult.Cancel)
{
return;
}
}
//unregister our last event handler
//currentSynthesis.SynthesisChanged -= new SynthesisChangedEventHandler(currentSynthesis_SynthesisChanged);
Synthesis newSynth = new Synthesis(inputDialog.Input, currentProject.GetNewProjectID());
//set the next step to be our new synthesis, and the new synthesis' previous step to be the old synthesis
currentSynthesis.NextStep = new SynthesisInfo(newSynth.Name, newSynth.ProjectID);
newSynth.PreviousStep = new SynthesisInfo(currentSynthesis.Name, currentSynthesis.ProjectID);
//and before we change our synthesis we save the current synth to update its nextstep property
FFManager.SaveSynFile(currentSynthesis, currentProject);
//Add a new tab with this synthesis
AddNewTabPage(newSynth);
//Save the synthesis
FFManager.SaveSynFile(currentSynthesis, currentProject);
}
//build the tree view
UpdateTreeView();
}
else
{
PromptUserToDeleteSynthesis(synthesisToAlter);
}
}
private void PromptUserToDeleteSynthesis(Synthesis syn)
{
if (MessageBox.Show("Are you sure you wish to delete the selected synthesis? This action can not be undone", "Delete synthesis?", MessageBoxButtons.YesNo) == DialogResult.Yes)
{
//user selected yes so we delete the synthesis
FFManager.DeleteSynthesisFolder(syn, currentProject);
currentProject.AllSyntheses.Remove(syn);
UpdateTreeView();
}
}
private void OpenProject(User user, ProjectInfo projectInfo)
{
this.user = user;
this.Text = "SynType " + this.user.UserInitials + " loaded project: " + projectInfo.ProjectName;
currentProject = new Project(projectInfo.ProjectName, projectInfo.ProjectPath, user);
if (currentProject.AllSyntheses.Count == 0)
{
//IF there are no syntheses then we prompt the user to create a new one
if (MessageBox.Show("The project is empty, would you like to create a new synthesis now?", "Create a new synthesis?", MessageBoxButtons.YesNo) == DialogResult.Yes)
{
InputDialog inputDialog = new InputDialog("Enter a name for the new synthesis");
if (inputDialog.ShowDialog() == DialogResult.OK)
{
while(string.IsNullOrEmpty(inputDialog.Input))
{
if (inputDialog.ShowDialog() == DialogResult.Cancel)
return;
}
Synthesis newSynth = new Synthesis(inputDialog.Input, currentProject.GetNewProjectID());
currentSynthesis = newSynth;
currentProject.AllSyntheses.Add(currentSynthesis);
//Save the synthesis
FFManager.SaveSynFile(currentSynthesis, currentProject);
}
}
}
UpdateTreeView();
}
//Creates a new synthesis, opening it in a new tab
private void newSynthesisToolStripMenuItem_Click(object sender, EventArgs e)
{
InputDialog inputDialog = new InputDialog("Enter a name for the new synthesis");
if (inputDialog.ShowDialog() == DialogResult.OK)
{
while (string.IsNullOrEmpty(inputDialog.Input))
{
if (inputDialog.ShowDialog() == DialogResult.Cancel)
{
return;
}
}
Synthesis newSynth = new Synthesis(inputDialog.Input, currentProject.GetNewProjectID());
AddNewTabPage(newSynth);
//currentSynthesis.UpdateSynthesis();
currentProject.AllSyntheses.Add(currentSynthesis);
//Save the synthesis
FFManager.SaveSynFile(currentSynthesis, currentProject);
}
//build the tree view
UpdateTreeView();
}
public void LoadSynthesis(Synthesis synthesis)
{
currentSynthesis = synthesis;
currentSynthesis_SynthesisChanged(this, EventArgs.Empty);
}