Beispiel #1
0
        private void GetTANIds_AssignToTANTxtBox_AutoComplete()
        {
            try
            {
                int       userID   = Classes.Generic_PepsiLite.UserID;
                DataTable dtTanIDs = PepsiLiteDataAccess.DataOperations.RetrieveTANIDS(userID);
                if (dtTanIDs != null)
                {
                    if (dtTanIDs.Rows.Count > 0)
                    {
                        AutoCompleteStringCollection tancollection = new AutoCompleteStringCollection();

                        for (int i = 0; i < dtTanIDs.Rows.Count; i++)
                        {
                            if (dtTanIDs.Rows[i][0] != null)
                            {
                                tancollection.Add(dtTanIDs.Rows[i][0].ToString());
                            }
                        }
                        Generic.AutoCompleteCol.TANcollection = tancollection;

                        txtTANNumber_Qry.AutoCompleteMode         = AutoCompleteMode.SuggestAppend;
                        txtTANNumber_Qry.AutoCompleteSource       = AutoCompleteSource.CustomSource;
                        txtTANNumber_Qry.AutoCompleteCustomSource = tancollection;
                    }
                }
            }
            catch (Exception ex)
            {
                ErrorHandling_NTS.WriteErrorLog(ex.ToString());
            }
        }
Beispiel #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;

                        Cursor = Cursors.Default;
                    }
                    else
                    {
                        Cursor = Cursors.Default;
                        MessageBox.Show(strErrMsg_out);
                    }
                }
                Clipboard.Clear();
            }
            catch (Exception ex)
            {
                ErrorHandling_NTS.WriteErrorLog(ex.ToString());
            }
            Cursor = Cursors.Default;
        }
Beispiel #3
0
        private bool ValidateUserInputs(out string errmsg_out)
        {
            bool   blValStatus = false;
            string strErrMsg   = "";

            try
            {
                if (chemRenditor_Trgt.MolfileString != null)
                {
                    if (txtPageNo.Text.Trim() != "")
                    {
                        blValStatus = true;
                    }
                    else
                    {
                        strErrMsg = "Please enter Page Number";
                    }
                }
                else
                {
                    strErrMsg = "Structure can not be null";
                }

                errmsg_out = strErrMsg;
                return(blValStatus);
            }
            catch (Exception ex)
            {
                ErrorHandling_NTS.WriteErrorLog(ex.ToString());
            }
            errmsg_out = strErrMsg;
            return(blValStatus);
        }
Beispiel #4
0
        private void btnSearch_Click(object sender, EventArgs e)
        {
            try
            {
                if (txtTANNumber_Qry.Text.Trim() != "")
                {
                    if (Validations.IsValidTanNumber(txtTANNumber_Qry.Text.Trim()))
                    {
                        TANNumber = txtTANNumber_Qry.Text.Trim();

                        int intTAN_ID = PepsiLiteDataAccess.DataOperations.RetrieveTANID_ForTAN(txtTANNumber_Qry.Text.Trim());

                        string strSearchQry = GetSearchQuery(intTAN_ID);

                        int intTotalRecCnt = PepsiLiteDataAccess.DataOperations.GetRecordCount_ForTAN(intTAN_ID);

                        DataTable dtSrchRes = PepsiLiteDataAccess.DataOperations.RetrieveSearchResults(strSearchQry);

                        if (dtSrchRes != null)
                        {
                            if (dtSrchRes.Rows.Count > 0)
                            {
                                pnlDups.Enabled = true;

                                SearchResults = dtSrchRes;
                                ToTalRecCnt   = intTotalRecCnt;
                                MaxRecCnt     = dtSrchRes.Rows.Count;

                                lblRecCnt.Text = dtSrchRes.Rows.Count.ToString() + " records out of  " + ToTalRecCnt + "  records";

                                currRecIndex = 1;
                                //ReadMoleculeFromTable(currRecIndex - 1);
                                numGoToRec.Minimum = 1;
                                numGoToRec.Maximum = MaxRecCnt;
                                numGoToRec.Value   = 1;
                                numGoToRec.Value   = currRecIndex;
                            }
                            else
                            {
                                ClearUserInputs();
                                pnlDups.Enabled = false;
                                MessageBox.Show("No records found for the search query", "No Records", MessageBoxButtons.OK, MessageBoxIcon.Information);
                            }
                        }
                    }
                    else
                    {
                        MessageBox.Show("Invalid TAN number", "Invalid TAN", MessageBoxButtons.OK, MessageBoxIcon.Information);
                    }
                }
                else
                {
                    MessageBox.Show("Please enter TAN", "TAN is required", MessageBoxButtons.OK, MessageBoxIcon.Information);
                }
            }
            catch (Exception ex)
            {
                ErrorHandling_NTS.WriteErrorLog(ex.ToString());
            }
        }
Beispiel #5
0
        private bool UpdateRecordInTable(int recindex, string molstring, double molweight, string molformula, int pagenum, string pagelabel, string examplenum, string iupacname, string enname, string inchikey)
        {
            bool blStatus = false;

            try
            {
                if (SearchResults != null)
                {
                    if (recindex < SearchResults.Rows.Count)
                    {
                        SearchResults.Rows[recindex]["structure"]      = molstring;
                        SearchResults.Rows[recindex]["mol_weight"]     = molweight;
                        SearchResults.Rows[recindex]["mol_formula"]    = molformula;
                        SearchResults.Rows[recindex]["iupac_name"]     = iupacname;
                        SearchResults.Rows[recindex]["page_number"]    = pagenum;
                        SearchResults.Rows[recindex]["page_label"]     = pagelabel;
                        SearchResults.Rows[recindex]["example_number"] = examplenum;
                        SearchResults.Rows[recindex]["table_number"]   = examplenum;
                        SearchResults.Rows[recindex]["en_name"]        = enname;
                        SearchResults.Rows[recindex]["inchi_key"]      = inchikey;

                        SearchResults.AcceptChanges();
                        blStatus = true;
                        return(blStatus);
                    }
                }
            }
            catch (Exception ex)
            {
                ErrorHandling_NTS.WriteErrorLog(ex.ToString());
            }
            return(blStatus);
        }
Beispiel #6
0
        private string GetSearchOperator(ComboBox _qryoperator, TextBox _qrytext, string _qrylabel)
        {
            string strSrchQry = "";

            try
            {
                if (_qrytext.Text.Trim() != "")
                {
                    string strCmbText = _qryoperator.SelectedItem.ToString();
                    switch (strCmbText.ToUpper())
                    {
                    case "=":
                        strSrchQry = _qrylabel + " = " + _qrytext.Text.Trim() + "";
                        break;

                    case "!=":
                        strSrchQry = _qrylabel + " != " + _qrytext.Text.Trim() + "";
                        break;

                    case ">":
                        strSrchQry = _qrylabel + " > " + _qrytext.Text.Trim() + "";
                        break;

                    case ">=":
                        strSrchQry = _qrylabel + " >= " + _qrytext.Text.Trim() + "";
                        break;

                    case "<":
                        strSrchQry = _qrylabel + " < " + _qrytext.Text.Trim() + "";
                        break;

                    case "<=":
                        strSrchQry = _qrylabel + " <= " + _qrytext.Text.Trim() + "";
                        break;

                    case "EQUAL TO":
                        strSrchQry = _qrylabel + " = '" + _qrytext.Text.Trim() + "'";
                        break;

                    case "NOT EQUAL TO":
                        strSrchQry = _qrylabel + " != '" + _qrytext.Text.Trim() + "'";
                        break;

                    case "LIKE":
                        strSrchQry = _qrylabel + " like '" + _qrytext.Text.Trim() + "%'";
                        break;

                    case "NOT LIKE":
                        strSrchQry = _qrylabel + " not like '" + _qrytext.Text.Trim() + "%'";
                        break;
                    }
                    return(strSrchQry);
                }
            }
            catch (Exception ex)
            {
                ErrorHandling_NTS.WriteErrorLog(ex.ToString());
            }
            return(strSrchQry);
        }
Beispiel #7
0
        private bool DeleteStructFromSearchResultTable(int tandtlsid, int currecindex)
        {
            bool blStatus = false;

            try
            {
                if (SearchResults != null)
                {
                    if (SearchResults.Rows.Count > 0)
                    {
                        if (Convert.ToInt32(SearchResults.Rows[currecindex]["tan_dtl_id"]) == tandtlsid)
                        {
                            SearchResults.Rows[currecindex].Delete();
                            SearchResults.AcceptChanges();

                            blStatus = true;
                            return(blStatus);
                        }
                    }
                }
            }
            catch (Exception ex)
            {
                ErrorHandling_NTS.WriteErrorLog(ex.ToString());
            }
            return(blStatus);
        }
Beispiel #8
0
 private void btnUpdate_Click(object sender, EventArgs e)
 {
     try
     {
         if (txtNewSmiles.Text.Trim() != "")
         {
             if (txtCompName.Text.Trim() != "")
             {
                 if (PepsiLiteDataAccess.DataOperations.UpdateDictCompSmilesDetails(txtCompName.Text.Trim(), txtNewSmiles.Text.Trim(), DateTime.Now, Classes.Generic_PepsiLite.UserID))
                 {
                     MessageBox.Show("Record updated successfully", "Update", MessageBoxButtons.OK, MessageBoxIcon.Information);
                 }
                 else
                 {
                     MessageBox.Show("Record not updated", "Update", MessageBoxButtons.OK, MessageBoxIcon.Information);
                 }
             }
             else
             {
                 MessageBox.Show("Please enter compound name", "", MessageBoxButtons.OK, MessageBoxIcon.Information);
             }
         }
         else
         {
             MessageBox.Show("Please enter SMILES", "", MessageBoxButtons.OK, MessageBoxIcon.Information);
         }
     }
     catch (Exception ex)
     {
         ErrorHandling_NTS.WriteErrorLog(ex.ToString());
     }
 }
Beispiel #9
0
        private static int GetRgroupNumFromRGroupName(string _rgrpname)
        {
            int rgrpNum = 0;

            try
            {
                if (_rgrpname.Trim() != "")
                {
                    string[] splitter = { "R" };
                    string[] strVals  = _rgrpname.Trim().Split(splitter, StringSplitOptions.RemoveEmptyEntries);
                    if (strVals != null)
                    {
                        if (strVals.Length > 0)
                        {
                            rgrpNum = Convert.ToInt16(strVals[0]);
                            return(rgrpNum);
                        }
                    }
                }
            }
            catch (Exception ex)
            {
                ErrorHandling_NTS.WriteErrorLog(ex.ToString());
            }
            return(rgrpNum);
        }
Beispiel #10
0
        private void btnAddToTable_Click(object sender, EventArgs e)
        {
            try
            {
                string strErrMsg = "";

                if (ValidateUserInputs_TableLevel(out strErrMsg))
                {
                    //Convert Text Data to Data Table
                    dtRgrpEnum             = ConvertTextAndAddToTable(rtxtOCRData.Text, txtIdentifier.Text.Trim(), txtRGroups.Text.Trim());
                    dtGridTable.DataSource = dtRgrpEnum;

                    DataTable dtSmiles = Enumeration.RgroupEnum.ConvertChemicalNameToSMILES_ChemDraw(dtRgrpEnum);
                    dtGridSmiles.DataSource = dtSmiles;

                    SMILESDataTbl = dtSmiles;

                    tbCntrl_Data.TabPages[1].Show();
                    tbCntrl_Data.SelectedIndex = 1;
                }
                else
                {
                    MessageBox.Show(strErrMsg, "Invalid user inputs", MessageBoxButtons.OK, MessageBoxIcon.Information);
                }
            }
            catch (Exception ex)
            {
                ErrorHandling_NTS.WriteErrorLog(ex.ToString());
            }
        }
Beispiel #11
0
 private void btnDelete_Click(object sender, EventArgs e)
 {
     try
     {
         if (txtCompName.Text.Trim() != "")
         {
             if (PepsiLiteDataAccess.DataOperations.DeleteDictCompDetails(txtCompName.Text.Trim()))
             {
                 MessageBox.Show("Record deleted successfully", "Delete", MessageBoxButtons.OK, MessageBoxIcon.Information);
             }
             else
             {
                 MessageBox.Show("No record found", "Delete", MessageBoxButtons.OK, MessageBoxIcon.Information);
             }
         }
         else
         {
             MessageBox.Show("Please enter compund name", "Delete", MessageBoxButtons.OK, MessageBoxIcon.Information);
         }
     }
     catch (Exception ex)
     {
         ErrorHandling_NTS.WriteErrorLog(ex.ToString());
     }
 }
Beispiel #12
0
        public static DataTable CreateRGroupEnumTable(string _indetifier, string[] _rgrparr)
        {
            try
            {
                DataTable dtRgrpTbl = new DataTable();

                if (_rgrparr != null)
                {
                    if (_rgrparr.Length > 0)
                    {
                        dtRgrpTbl.Columns.Add(_indetifier, typeof(string));
                        for (int i = 0; i < _rgrparr.Length; i++)
                        {
                            dtRgrpTbl.Columns.Add(_rgrparr[i], typeof(string));
                        }
                    }
                }
                return(dtRgrpTbl);
            }
            catch (Exception ex)
            {
                ErrorHandling_NTS.WriteErrorLog(ex.ToString());
            }
            return(null);
        }
Beispiel #13
0
        private bool ValidateUserInputs(out string errmsg_out)
        {
            bool   blValStatus = false;
            string strErrMsg   = "";

            try
            {
                if (txtCompName.Text.Trim() != "")
                {
                    if (txtSmiles.Text.Trim() != "")
                    {
                        blValStatus = true;
                    }
                    else
                    {
                        strErrMsg = "Please enter SMILES";
                    }
                }
                else
                {
                    strErrMsg = "Please enter compound name";
                }

                errmsg_out = strErrMsg;
                return(blValStatus);
            }
            catch (Exception ex)
            {
                ErrorHandling_NTS.WriteErrorLog(ex.ToString());
            }
            errmsg_out = strErrMsg;
            return(blValStatus);
        }
Beispiel #14
0
 private void btnRetrieve_Click(object sender, EventArgs e)
 {
     try
     {
         if (txtCompName.Text.Trim() != "")
         {
             string strSmiles = PepsiLiteDataAccess.DataOperations.RetrieveDictSmilesOnCompName(txtCompName.Text.Trim());
             if (strSmiles != "")
             {
                 txtSmiles.Text = strSmiles;
             }
             else
             {
                 MessageBox.Show("No record found", "", MessageBoxButtons.OK, MessageBoxIcon.Information);
             }
         }
         else
         {
             MessageBox.Show("Please enter compound name", "", MessageBoxButtons.OK, MessageBoxIcon.Information);
         }
     }
     catch (Exception ex)
     {
         ErrorHandling_NTS.WriteErrorLog(ex.ToString());
     }
 }
Beispiel #15
0
        private void frmExportOpts_Load(object sender, EventArgs e)
        {
            try
            {
                if (AvailProps != null)
                {
                    if (AvailProps.Count > 0)
                    {
                        for (int i = 0; i < AvailProps.Count; i++)
                        {
                            lstAvailProp.Items.Add(AvailProps[i].ToString());
                        }

                        availList = AvailProps;
                        selList.Add("Structure");

                        lstSelProp.Items.Add("Structure");
                    }
                }
            }
            catch (Exception ex)
            {
                ErrorHandling_NTS.WriteErrorLog(ex.ToString());
            }
        }
Beispiel #16
0
        private void btnWriteXml_Click(object sender, EventArgs e)
        {
            try
            {
                if (lstSelTANs.SelectedItems.Count > 0)
                {
                    if (txtFolderPath.Text.Trim() != "")
                    {
                        FolderName   = txtFolderPath.Text.Trim();
                        SelectedTANs = selList;

                        this.Close();
                    }
                    else
                    {
                        MessageBox.Show("Please specify folder path");
                    }
                }
                else
                {
                    MessageBox.Show("Please select atleast one TAN");
                }
            }
            catch (Exception ex)
            {
                ErrorHandling_NTS.WriteErrorLog(ex.ToString());
            }
        }
Beispiel #17
0
        private ArrayList GetRgroupsFromCoreMolecule(string _rCoreMol)
        {
            ArrayList lstRGroups = new ArrayList();

            try
            {
                if (_rCoreMol != "")
                {
                    MolHandler mHandler = new MolHandler(_rCoreMol);
                    Molecule   objMol   = mHandler.getMolecule();
                    MolAtom    mAtom    = null;

                    int intRgrpId = 0;

                    for (int i = 0; i < objMol.getAtomCount(); i++)
                    {
                        mAtom     = objMol.getAtom(i);
                        intRgrpId = mAtom.getRgroup();

                        if (intRgrpId > 0)
                        {
                            if (!lstRGroups.Contains("R" + intRgrpId))
                            {
                                lstRGroups.Add("R" + intRgrpId);
                            }
                        }
                    }
                }
            }
            catch (Exception ex)
            {
                ErrorHandling_NTS.WriteErrorLog(ex.ToString());
            }
            return(lstRGroups);
        }
Beispiel #18
0
        private void btnSelAll_Click(object sender, EventArgs e)
        {
            try
            {
                if (lstAvailProp.Items.Count > 0)
                {
                    for (int i = 0; i < lstAvailProp.Items.Count; i++)
                    {
                        if (lstAvailProp.Items[i].ToString() != "Structure")
                        {
                            AddItem(lstAvailProp.Items[i].ToString());
                        }
                    }

                    lstAvailProp.DataSource = null;
                    lstAvailProp.DataSource = availList;
                    lstSelProp.DataSource   = null;
                    lstSelProp.DataSource   = selList;
                }
            }
            catch (Exception ex)
            {
                ErrorHandling_NTS.WriteErrorLog(ex.ToString());
            }
        }
Beispiel #19
0
 private void btnSubmit_Click(object sender, EventArgs e)
 {
     try
     {
         string strErrMsg = "";
         if (ValidateUserInputs(out strErrMsg))
         {
             if (PepsiLiteDataAccess.DataOperations.UpdateUserDetails(txtUserName.Text.Trim(), txtPassword.Text.Trim(), txtnewPassword.Text.Trim(), Classes.Generic_PepsiLite.UserRole))
             {
                 if (MessageBox.Show("Password updated successfully") == DialogResult.OK)
                 {
                     this.Close();
                 }
             }
             else
             {
                 MessageBox.Show("Error in update");
             }
         }
         else
         {
             MessageBox.Show(strErrMsg, "Invalid user inputs", MessageBoxButtons.OK, MessageBoxIcon.Information);
         }
     }
     catch (Exception ex)
     {
         ErrorHandling_NTS.WriteErrorLog(ex.ToString());
     }
 }
        private bool DelelteRecordFromTable(int recindex)
        {
            bool blStatus = false;

            try
            {
                if (MolDataTbl != null)
                {
                    if (MolDataTbl.Rows.Count > 0)
                    {
                        if (recindex < MolDataTbl.Rows.Count)
                        {
                            MolDataTbl.Rows[recindex].Delete();
                            MolDataTbl.AcceptChanges();

                            blStatus = true;
                            return(blStatus);
                        }
                    }
                }
            }
            catch (Exception ex)
            {
                ErrorHandling_NTS.WriteErrorLog(ex.ToString());
            }
            return(blStatus);
        }
Beispiel #21
0
        public bool ReadMoleculeFromTable(int recindex)
        {
            bool blStatus = false;

            try
            {
                if (EnumResultsTbl != null)
                {
                    if (EnumResultsTbl.Rows.Count > 0 && (recindex < EnumResultsTbl.Rows.Count))
                    {
                        chemRenditor_Results.MolfileString = EnumResultsTbl.Rows[recindex]["structure"].ToString();

                        txtMolFileNo.Text = (recindex + 1).ToString();

                        blStatus = true;
                        return(blStatus);
                    }
                }
            }
            catch (Exception ex)
            {
                ErrorHandling_NTS.WriteErrorLog(ex.ToString());
            }
            return(blStatus);
        }
Beispiel #22
0
        private void OpenPdfFile()
        {
            try
            {
                openFileDialog1.Filter = "PDF|*.pdf";
                if (openFileDialog1.ShowDialog() == DialogResult.OK)
                {
                    string strFileName = openFileDialog1.FileName;
                    if (strFileName.Trim() != "")
                    {
                        txtFileName.Text = strFileName;

                        pnlPdf.Enabled = true;

                        pdfDocBrow.IsAccessible = true;
                        pdfDocBrow.LoadFile(strFileName);
                        pdfDocBrow.Visible = true;
                    }
                }
            }
            catch (Exception ex)
            {
                ErrorHandling_NTS.WriteErrorLog(ex.ToString());
            }
        }
Beispiel #23
0
        public static Molecule AddRGrpMolToCoreMolecule(RgMolecule _rgMol, Molecule _coreMol, int _rgrpNum)
        {
            try
            {
                //Get RGroup position
                int rgrpPos = GetRGroupPosition(_coreMol, _rgrpNum);

                //Get Radical position
                int radPos = GetRadicalPosition(_rgMol);

                //Add Rgroup Molecule to Core Molecule
                AddRGroupToCore(ref _coreMol, _rgMol);

                _coreMol.add(new MolBond(_coreMol.getAtom(rgrpPos).getBond(0).getAtom1(), _rgMol.getAtom(radPos)));

                _coreMol.removeNode(_coreMol.getNode(rgrpPos), CGraph.RMCLEANUP_ALL);
                _coreMol.clean(2, null, null);

                rgrpPos = GetRGroupPosition(_coreMol, _rgrpNum);

                _coreMol.removeNode(_coreMol.getNode(rgrpPos), CGraph.RMCLEANUP_ALL);
                _coreMol.clean(2, null, null);

                return(_coreMol);
            }
            catch (Exception ex)
            {
                ErrorHandling_NTS.WriteErrorLog(ex.ToString());
            }
            return(null);
        }
Beispiel #24
0
        private ArrayList GetRGroupsFromDefinedTable(string _defRgrps)
        {
            ArrayList lstDefRgrps = new ArrayList();

            try
            {
                if (_defRgrps.Trim() != "")
                {
                    string[] splitter  = { "," };
                    string[] strValArr = _defRgrps.Trim().Split(splitter, StringSplitOptions.RemoveEmptyEntries);
                    if (strValArr != null)
                    {
                        if (strValArr.Length > 0)
                        {
                            for (int i = 0; i < strValArr.Length; i++)
                            {
                                if (!lstDefRgrps.Contains(strValArr[i]))
                                {
                                    lstDefRgrps.Add(strValArr[i]);
                                }
                            }
                        }
                    }
                }
            }
            catch (Exception ex)
            {
                ErrorHandling_NTS.WriteErrorLog(ex.ToString());
            }
            return(lstDefRgrps);
        }
        private bool UpdateRecordInTable(int recindex, string molstring, string molweight, string molformula, string pagenum, string pagelabel, string examplenum, string iupacname, string enname)
        {
            bool blStatus = false;

            try
            {
                if (MolDataTbl != null)
                {
                    if (recindex < MolDataTbl.Rows.Count)
                    {
                        MolDataTbl.Rows[recindex]["Structure"]     = molstring;
                        MolDataTbl.Rows[recindex]["MolWeight"]     = molweight;
                        MolDataTbl.Rows[recindex]["MolFormula"]    = molformula;
                        MolDataTbl.Rows[recindex]["IupacName"]     = iupacname;
                        MolDataTbl.Rows[recindex]["PageNumber"]    = pagenum;
                        MolDataTbl.Rows[recindex]["PageLabel"]     = pagelabel;
                        MolDataTbl.Rows[recindex]["ExampleNumber"] = examplenum;
                        MolDataTbl.Rows[recindex]["EnName"]        = enname;

                        MolDataTbl.AcceptChanges();
                        blStatus = true;
                        return(blStatus);
                    }
                }
            }
            catch (Exception ex)
            {
                ErrorHandling_NTS.WriteErrorLog(ex.ToString());
            }
            return(blStatus);
        }
Beispiel #26
0
        private void btnSelOne_Click(object sender, EventArgs e)
        {
            try
            {
                if (lstAvailProp.Items.Count > 0)
                {
                    if (lstAvailProp.SelectedItem != null)
                    {
                        if (lstAvailProp.SelectedItem.ToString() != "Structure")
                        {
                            AddItem(lstAvailProp.SelectedItem.ToString());

                            lstAvailProp.DataSource = null;
                            lstAvailProp.DataSource = availList;
                            lstSelProp.DataSource   = null;
                            lstSelProp.DataSource   = selList;
                        }
                    }
                }
            }
            catch (Exception ex)
            {
                ErrorHandling_NTS.WriteErrorLog(ex.ToString());
            }
        }
Beispiel #27
0
        private void btnRunEnum_Click(object sender, EventArgs e)
        {
            try
            {
                string strErrMsg_out = "";
                if (ValidateUserInputs(out strErrMsg_out))
                {
                    Cursor = Cursors.WaitCursor;

                    //Generate R-Group Enumeration Results
                    DataTable dtEnumData = Enumeration.RgroupEnum.GetRGroupEnumerationResults(SMILESDataTbl, chemRenditor.MolfileString);

                    if (dtEnumData != null)
                    {
                        if (dtEnumData.Rows.Count > 0)
                        {
                            pnlEnumResults.Enabled = true;

                            tbCntrl_Main.TabPages[1].Show();
                            tbCntrl_Main.SelectedIndex = 1;

                            EnumResultsTbl = dtEnumData;

                            numGoToRec.Minimum = 0;
                            numGoToRec.Value   = 0;
                            numGoToRec.Maximum = 0;

                            numGoToRec.Minimum = 1;
                            numGoToRec.Maximum = dtEnumData.Rows.Count;
                            numGoToRec.Value   = 1;

                            MaxRecCount = dtEnumData.Rows.Count;

                            Cursor = Cursors.Default;
                        }
                        else
                        {
                            Cursor = Cursors.Default;
                            MessageBox.Show("No Enumeration results");
                        }
                    }
                    else
                    {
                        Cursor = Cursors.Default;
                        MessageBox.Show("No Enumeration results");
                    }
                }
                else
                {
                    MessageBox.Show(strErrMsg_out, "In-valid user inputs", MessageBoxButtons.OK, MessageBoxIcon.Information);
                }
            }
            catch (Exception ex)
            {
                ErrorHandling_NTS.WriteErrorLog(ex.ToString());
            }
        }
Beispiel #28
0
        private bool ValidateUserInputs(out string errmsg_out)
        {
            bool   blValStatus = false;
            string strErrMsg   = "";

            try
            {
                if (chemRenditor.MolfileString != null)
                {
                    if (txtIdentifier.Text.Trim() != "")
                    {
                        if (txtRGroups.Text.Trim() != "")
                        {
                            if (SMILESDataTbl != null)
                            {
                                if (SMILESDataTbl.Rows.Count > 0)
                                {
                                    //Validate Drawn R-Groups and defined R-Groups
                                    if (ValidateDrawnAndDefinedRGroups(out strErrMsg))
                                    {
                                        blValStatus = true;
                                    }
                                }
                                else
                                {
                                    strErrMsg = "No Smiles Data table";
                                }
                            }
                            else
                            {
                                strErrMsg = "No Smiles Data table";
                            }
                        }
                        else
                        {
                            strErrMsg = "Please enter R-Groups";
                        }
                    }
                    else
                    {
                        strErrMsg = "Please enter Identifier";
                    }
                }
                else
                {
                    strErrMsg = "Please draw R-Core structure";
                }
                errmsg_out = strErrMsg;
                return(blValStatus);
            }
            catch (Exception ex)
            {
                ErrorHandling_NTS.WriteErrorLog(ex.ToString());
            }
            errmsg_out = strErrMsg;
            return(blValStatus);
        }
        private bool ValidateUserInputs(out string errmsg_out)
        {
            bool   blValStatus = false;
            string strErrMsg   = "";

            try
            {
                if (chemRenditor.MolfileString != null)
                {
                    if (txtPageNo.Text.Trim() != "")
                    {
                        if (txtTANNo.Text.Trim() != "")
                        {
                            if (Validations.IsValidTanNumber(txtTANNo.Text.Trim()))
                            {
                                if (txtMolFileNo.Text.Trim() != "")
                                {
                                    blValStatus = true;
                                }
                                else
                                {
                                    strErrMsg = "Please enter Molfile number";
                                }
                            }
                            else
                            {
                                strErrMsg = "Not a Valid TAN number\r\nTAN format is 12345678A";
                            }
                        }
                        else
                        {
                            strErrMsg = "Please enter TAN Number";
                        }
                    }
                    else
                    {
                        strErrMsg = "Please enter Page Number";
                    }
                }
                else
                {
                    strErrMsg = "Structure can not be a null";
                }

                errmsg_out = strErrMsg;
                return(blValStatus);
            }
            catch (Exception ex)
            {
                ErrorHandling_NTS.WriteErrorLog(ex.ToString());
            }
            errmsg_out = strErrMsg;
            return(blValStatus);
        }
Beispiel #30
0
 private void frmQryDuplicates_Load(object sender, EventArgs e)
 {
     try
     {
         ucCheckDuplicates1.pnlDups.Enabled = false;
     }
     catch (Exception ex)
     {
         ErrorHandling_NTS.WriteErrorLog(ex.ToString());
     }
 }