Esempio n. 1
0
        private void GetStructureFromImage()
        {
            try
            {
                IDataObject clipData = Clipboard.GetDataObject();
                if (clipData.GetDataPresent(DataFormats.Bitmap))
                {
                    Cursor = Cursors.WaitCursor;

                    Image imgChemistry = Clipboard.GetImage();

                    string strMol_out     = "";
                    bool   blIsChiral_out = false;
                    string strErrMsg_out  = "";

                    if (ImageToStructure.GetStructureFromImage(imgChemistry, out strMol_out, out blIsChiral_out, out strErrMsg_out))
                    {
                        chemRenditor.MolfileString = strMol_out;

                        Cursor = Cursors.Default;
                    }
                    else
                    {
                        Cursor = Cursors.Default;
                        MessageBox.Show(strErrMsg_out);
                    }
                }
                Clipboard.Clear();
            }
            catch (Exception ex)
            {
                ErrorHandling_NTS.WriteErrorLog(ex.ToString());
            }
            Cursor = Cursors.Default;
        }
Esempio n. 2
0
        private void GetStructureFromImage()
        {
            try
            {
                IDataObject clipData = Clipboard.GetDataObject();
                if (clipData.GetDataPresent(DataFormats.Bitmap))
                {
                    Cursor = Cursors.WaitCursor;

                    Image imgChemistry = Clipboard.GetImage();

                    string strMol_out     = "";
                    bool   blIsChiral_out = false;
                    string strErrMsg_out  = "";

                    if (ImageToStructure.GetStructureFromImage(imgChemistry, out strMol_out, out blIsChiral_out, out strErrMsg_out))
                    {
                        ChemRenditor.MolfileString = strMol_out;

                        try
                        {
                            chemaxon.util.MolHandler molHandler_Trgt = new MolHandler(ChemRenditor.MolfileString);
                            Molecule molObj = molHandler_Trgt.getMolecule();

                            txtMolWeight.Text  = molObj.getMass().ToString();
                            txtMolFormula.Text = molObj.getFormula();

                            string strMolfile   = molObj.toFormat("mol");
                            string strIUPACName = "";
                            string strErrMsg    = "";
                            if (ChemistryOperations.GetIUPACNameFromStructure(strMolfile, out strIUPACName, out strErrMsg))
                            {
                                strIUPACName = ChemistryOperations.RemoveSMILESFromIUPACName(strIUPACName);
                                strIUPACName = ChemistryOperations.GetConvertedIUPACName(strIUPACName);
                            }
                            else
                            {
                                strIUPACName = "IUPAC name not provided";
                            }
                        }
                        catch
                        {
                        }

                        //if (molObj.isAbsStereo())
                        //{
                        //    lblChiral.Visible = true;
                        //}
                        //else
                        //{
                        //    lblChiral.Visible = false;
                        //}


                        //txtIUPACName.Text = strIUPACName;

                        Cursor = Cursors.Default;
                    }
                    else
                    {
                        Cursor = Cursors.Default;
                        MessageBox.Show(strErrMsg_out);
                    }

                    Clipboard.Clear();
                }
            }
            catch (Exception ex)
            {
                ErrorHandling.WriteErrorLog(ex.ToString());
            }
            Cursor = Cursors.Default;
        }