runInSystemShell(view, "start \"http:\\\\www.dur.ac.uk\\john.evans\\topas_workshop\\pcg_workshop_menu.htm\"&"); runInSystemShell(view, "start \"http:\\\\www.dur.ac.uk\\john.evans\\topas_academic\\topas_main.htm\"&"); jEdit.openFile(editPane.getView(), jEdit.getProperty("ta.main.dir") + "local.inc"); jEdit.openFile(editPane.getView(), jEdit.getProperty("ta.main.dir") + "topas.log"); runInSystemShell(view, "start /D\""+ jEdit.getProperty("ta.main.dir") +"\" Technical_Reference.pdf&"); waitForConsole(view); runInSystemShell(view, "start /D\""+ jEdit.getProperty("ta.main.dir") +"\" Users_Manual.pdf&"); waitForConsole(view); runInSystemShell(view, "start \"http:\\\\img.chem.ucl.ac.uk\\sgp\\mainmenu.htm\"&"); do_ta(v) { runInSystemShell(v, jEdit.getProperty("ta.main.dir")); waitForConsole(v); runInSystemShell(v, "ta&"); } do_ta(view); Buffer b = jEdit.openTemporary(view,null,jEdit.getProperty("ta.main.dir") + "launch_file.txt",false); try { if (buffer.isDirty()) { buffer.save(view,null,true); } if (b != null) { while(!b.isLoaded()) VFSManager.waitForRequests(); b.remove(0,b.getLength()); b.insert(0, '"'+buffer.getPath()+'"'); b.save(view, b.getPath()); } } finally { if(b != null) { //b.close(); } } TAnewINP(v) { String w_ext = jEdit.getProperty("ta.last_xdd_type"); if (w_ext == null) w_ext = "*.raw"; jEdit.setProperty("vfs.browser.last-filter", w_ext); String w_path = jEdit.getProperty("ta.last_new_inp_dir"); if (w_path == null) { w_path = jEdit.getProperty("ta.main.dir") +"test_examples\\"; } jEdit.setProperty("vfs.browser.last-path", w_path); VFSFileChooserDialog chooser = new VFSFileChooserDialog(v, w_path, VFSBrowser.OPEN_DIALOG, true); String[] files = chooser.getSelectedFiles(); if (files != null) { String w_dir = MiscUtilities.getParentOfPath(files[0]); String w_fn_no_ext = MiscUtilities.getFileNameNoExtension(files[0]); jEdit.setProperty("ta.last_new_inp_dir", w_dir); String w_path_inp = w_dir + w_fn_no_ext + "_riet_01.inp"; b = jEdit.openFile(v, w_path_inp); if (b != null) { if (b.isNewFile()) { t = v.getTextArea(); int i = 0; while(true) { t.goToEndOfLine(false); String w_path = MiscUtilities.getFileName(files[i]); if (w_path.indexOf(' ') != -1) { w_path = "\"" + w_path + "\""; } b.insert(t.getCaretPosition(), "\n'--------------------------------------------------------------"); b.insert(t.getCaretPosition(), "\n'Input File for simple Rietveld Refinement"); b.insert(t.getCaretPosition(), "\n'Use save/set current button then run with F6 in topas"); b.insert(t.getCaretPosition(), "\n'Replace $ and # symbols with text/numbers as needed"); b.insert(t.getCaretPosition(), "\n'--------------------------------------------------------------"); b.insert(t.getCaretPosition(), "\n\nr_wp 0 r_exp 0 r_p 0 r_wp_dash 0 r_p_dash 0 r_exp_dash 0 weighted_Durbin_Watson 0 gof 0"); b.insert(t.getCaretPosition(), "\n\n'--------------------------------------------------------------"); b.insert(t.getCaretPosition(), "\n'General information about refinement here\n'Remove comments as required"); b.insert(t.getCaretPosition(), "\n'--------------------------------------------------------------"); b.insert(t.getCaretPosition(), "\n\niters 100000"); b.insert(t.getCaretPosition(), "\nchi2_convergence_criteria 0.001"); b.insert(t.getCaretPosition(), "\n'do_errors"); b.insert(t.getCaretPosition(), "\n\n'--------------------------------------------------------------"); b.insert(t.getCaretPosition(), "\n'Information on datafile etc here"); b.insert(t.getCaretPosition(), "\n'Check that default weighting is appropriate for your data"); b.insert(t.getCaretPosition(), "\n'--------------------------------------------------------------"); b.insert(t.getCaretPosition(), "\nxdd " + w_path); b.insert(t.getCaretPosition(), "\n\tx_calculation_step = Yobs_dx_at(Xo); convolution_step 4"); b.insert(t.getCaretPosition(), "\n\tbkg @ 0 0 0 0 0 0"); i++; if (i == files.length) break; } jEdit.setProperty("ta.last_xdd_type", "*" + MiscUtilities.getFileExtension(files[0])); } else { String wmes = "INP file " + w_path_inp + " already exists"; Macros.message(v, wmes); } } } } TAnewINP(view); textArea.goToEndOfLine(false); buffer.insert(textArea.getCaretPosition(), "\n\tLP_Factor(!th2_monochromator, 26.6)"); buffer.insert(textArea.getCaretPosition(), "\n\tCuKa2(0.0001)"); textArea.goToEndOfLine(false); buffer.insert(textArea.getCaretPosition(), "\n\tLP_Factor(!th2_monochromator, 0)"); buffer.insert(textArea.getCaretPosition(), "\n\tCuKa2(0.0001)"); textArea.goToEndOfLine(false); buffer.insert(textArea.getCaretPosition(), "\n\tLP_Factor(!th2_monochromator, 27.26)"); buffer.insert(textArea.getCaretPosition(), "\n\tCuKa1(0.0001)"); textArea.goToEndOfLine(false); buffer.insert(textArea.getCaretPosition(), "\n\tLP_Factor(!th2_monochromator, 27.26)"); buffer.insert(textArea.getCaretPosition(), "\n\tCuKa1(0.0001)"); textArea.goToEndOfLine(false); buffer.insert(textArea.getCaretPosition(), "\n\tLP_Factor(!th2_monochromator, 0)"); buffer.insert(textArea.getCaretPosition(), "\n\tCuKa2(0.0001)"); {%wavelength "Enter Wavelength:"}{@ textArea.goToEndOfLine(false); }\n\tlam ymin_on_ymax 0.0001 la 1.0 lo {$$wavelength} lh 0.5\n\tLP_Factor( 0) 'change the mono angle as required {%wavelength "Enter Wavelength:"}{@ textArea.goToEndOfLine(false); }\n\tlam ymin_on_ymax 0.0001 la 1.0 lo {$$wavelength} lh 0.5\n\tneutron_data\n\tLP_Factor( 90) {%mono "Enter Monochromator angle (e.g. 26.6 graphite/Cu; 27.26 Ge/Cu; 0 for energy dispersive): "}{@ textArea.goToEndOfLine(false); }\n\tLP_Factor(!th2_monochromator, {$$mono}) Macros.getMacro("TAInsertLAM").invoke(view); textArea.goToEndOfLine(false); buffer.insert(textArea.getCaretPosition(), "\n\tVariable_Divergence_Intensity"); textArea.goToEndOfLine(false); buffer.insert(textArea.getCaretPosition(), "\n\tZero_Error(zero,0)"); textArea.goToEndOfLine(false); buffer.insert(textArea.getCaretPosition(), "\n\tSpecimen_Displacement(height,0)"); do_cif(v) { t = v.getTextArea(); b = t.getBuffer(); t.goToEndOfLine(false); b.insert(t.getCaretPosition(), "\n\n'--------------------------------------------------------------"); b.insert(t.getCaretPosition(), "\n'Information on structure"); b.insert(t.getCaretPosition(), "\n'Type in phase/space group/cell etc"); b.insert(t.getCaretPosition(), "\n'Comment in/out sections as needed"); b.insert(t.getCaretPosition(), "\n'--------------------------------------------------------------"); jEdit.setProperty("vfs.browser.last-filter", "*.cif"); w_path = jEdit.getProperty("ta.last_cif_path"); if (w_path == null) { w_path = jEdit.getProperty("ta.main.dir") +"cif\\"; } jEdit.setProperty("vfs.browser.last-path", w_path); waitForConsole(v); VFSFileChooserDialog chooser = new VFSFileChooserDialog(v, w_path, VFSBrowser.OPEN_DIALOG, true); String[] files = chooser.getSelectedFiles(); if (files != null) { int i = 0; b.beginCompoundEdit(); while(true) { runInSystemShell(v, jEdit.getProperty("ta.main.dir")); waitForConsole(v); runInSystemShell(v, "cif1 " + "\"" + files[i] + "\" cif1.tmp"); waitForConsole(v); t.goToEndOfLine(false); b.insert(t.getCaretPosition(), "\n"); b.insertFile(v, jEdit.getProperty("ta.main.dir") + "cif1.tmp"); VFSManager.waitForRequests(); i++; if (i == files.length) break; b.insert(t.getCaretPosition(), "\n"); } b.endCompoundEdit(); jEdit.setProperty("ta.last_cif_path", files[0]); } t.goToEndOfLine(false); b.insert(t.getCaretPosition(), "\n\t\tscale @ 0.0001"); b.insert(t.getCaretPosition(), "\n\t\tr_bragg 0"); b.insert(t.getCaretPosition(), "\n\t\tTCHZ_Peak_Type(pku, 0.00039,pkv, -0.00221,pkw, -0.00146,!pkx, 0.0000,pky, 0.00957,!pkz, 0.0000)"); b.insert(t.getCaretPosition(), "\n\t\tSimple_Axial_Model(axial,10)"); b.insert(t.getCaretPosition(), "\n\t\tPhase_Density_g_on_cm3(0)"); } do_cif(view); textArea.goToEndOfLine(false); buffer.insert(textArea.getCaretPosition(), "\n\n'--------------------------------------------------------------"); buffer.insert(textArea.getCaretPosition(), "\n'Information on structure"); buffer.insert(textArea.getCaretPosition(), "\n'Type in phase/space group/cell etc"); buffer.insert(textArea.getCaretPosition(), "\n'Comment in/out sections as needed"); buffer.insert(textArea.getCaretPosition(), "\n'--------------------------------------------------------------"); buffer.insert(textArea.getCaretPosition(), "\n\n\tstr"); buffer.insert(textArea.getCaretPosition(), "\n\t\tscale @ 0.0001"); buffer.insert(textArea.getCaretPosition(), "\n\t\tr_bragg 0"); buffer.insert(textArea.getCaretPosition(), "\n\t\tTCHZ_Peak_Type(pku, 0.00039,pkv, -0.00221,pkw, -0.00146,!pkx, 0.0000,pky, 0.00957,!pkz, 0.0000)"); buffer.insert(textArea.getCaretPosition(), "\n\t\tSimple_Axial_Model(axial,10)"); buffer.insert(textArea.getCaretPosition(), "\n\t\tPhase_Density_g_on_cm3(0)"); buffer.insert(textArea.getCaretPosition(), "\n\t\t'append_bond_lengths"); buffer.insert(textArea.getCaretPosition(), "\n\t\t\t'consider_lattice_parameters"); buffer.insert(textArea.getCaretPosition(), "\n\t\t'Out_FCF(" + buffer.getPath() + ".cif)"); {%sgrp "Enter Space Group:"}{@ textArea.goToEndOfLine(false) }\n\t\tspace_group {$$sgrp} {%phname "Enter Phase Name:"}{@ textArea.goToEndOfLine(false) }\n\t\t\phase_name {$$phname} textArea.goToEndOfLine(false); buffer.insert(textArea.getCaretPosition(), "\n\t\tCubic(@ #)"); textArea.goToEndOfLine(false); buffer.insert(textArea.getCaretPosition(), "\n\t\tTetragonal(@ #, @ #)"); textArea.goToEndOfLine(false); buffer.insert(textArea.getCaretPosition(), "\n\t\tHexagonal(@ #, @ #)"); textArea.goToEndOfLine(false); buffer.insert(textArea.getCaretPosition(), "\n\t\tRhombohedral(@ #, @ #)"); textArea.goToEndOfLine(false); buffer.insert(textArea.getCaretPosition(), "\n\t\ta @ #\n\t\tb @ #\n\t\tc @ #\n\t\tal @ #\n\t\tbe @ #\n\t\tga @ #"); textArea.goToEndOfLine(false); buffer.insert(textArea.getCaretPosition(), "\n\t\tsite $site x # y # z # occ $atom # beq #"); textArea.goToEndOfLine(false); buffer.insert(textArea.getCaretPosition(), "\n\t\tsite $site x # y # z # occ $atom # adps"); textArea.goToEndOfLine(false); buffer.insert(textArea.getCaretPosition(), "\n\t\tview_structure"); textArea.goToEndOfLine(false); buffer.insert(textArea.getCaretPosition(), "\n\t\tPreferred_Orientation(@, 1,, #h #k #l)"); textArea.goToEndOfLine(false); buffer.insert(textArea.getCaretPosition(), "\n\t\tPO_Two_Directions(@, 1,, 1 1 1,@, 1,, ,@, 0.5)"); textArea.goToEndOfLine(false); buffer.insert(textArea.getCaretPosition(), "\n\t\tPO_Spherical_Harmonics(sh, 4)"); TAnewINP(v) { String w_ext = jEdit.getProperty("ta.last_xdd_type"); if (w_ext == null) w_ext = "*.raw"; jEdit.setProperty("vfs.browser.last-filter", w_ext); String w_path = jEdit.getProperty("ta.last_new_inp_dir"); if (w_path == null) { w_path = jEdit.getProperty("ta.main.dir") +"test_examples\\"; } jEdit.setProperty("vfs.browser.last-path", w_path); VFSFileChooserDialog chooser = new VFSFileChooserDialog(v, w_path, VFSBrowser.OPEN_DIALOG, true); String[] files = chooser.getSelectedFiles(); if (files != null) { String w_dir = MiscUtilities.getParentOfPath(files[0]); String w_fn_no_ext = MiscUtilities.getFileNameNoExtension(files[0]); jEdit.setProperty("ta.last_new_inp_dir", w_dir); String w_path_inp = w_dir + w_fn_no_ext + "_pawley_01.inp"; b = jEdit.openFile(v, w_path_inp); if (b != null) { if (b.isNewFile()) { t = v.getTextArea(); int i = 0; while(true) { t.goToEndOfLine(false); String w_path = MiscUtilities.getFileName(files[i]); if (w_path.indexOf(' ') != -1) { w_path = "\"" + w_path + "\""; } b.insert(t.getCaretPosition(), "\n'--------------------------------------------------------------"); b.insert(t.getCaretPosition(), "\n'Input File for simple Rietveld Refinement"); b.insert(t.getCaretPosition(), "\n'Use save/set current button then run with F6 in topas"); b.insert(t.getCaretPosition(), "\n'Replace $ and # symbols with text/numbers as needed"); b.insert(t.getCaretPosition(), "\n'--------------------------------------------------------------"); b.insert(t.getCaretPosition(), "\n\nr_wp 0 r_exp 0 r_p 0 r_wp_dash 0 r_p_dash 0 r_exp_dash 0 weighted_Durbin_Watson 0 gof 0"); b.insert(t.getCaretPosition(), "\n\n'--------------------------------------------------------------"); b.insert(t.getCaretPosition(), "\n'General information about refinement here\n'Remove comments as required"); b.insert(t.getCaretPosition(), "\n'--------------------------------------------------------------"); b.insert(t.getCaretPosition(), "\n\niters 100000"); b.insert(t.getCaretPosition(), "\nchi2_convergence_criteria 0.001"); b.insert(t.getCaretPosition(), "\n'do_errors"); b.insert(t.getCaretPosition(), "\n\n'--------------------------------------------------------------"); b.insert(t.getCaretPosition(), "\n'Information on datafile etc here"); b.insert(t.getCaretPosition(), "\n'Check that default weighting is appropriate for your data"); b.insert(t.getCaretPosition(), "\n'--------------------------------------------------------------"); b.insert(t.getCaretPosition(), "\nxdd " + w_path); b.insert(t.getCaretPosition(), "\n\tx_calculation_step = Yobs_dx_at(Xo); convolution_step 4"); b.insert(t.getCaretPosition(), "\n\tbkg @ 0 0 0 0 0 0"); i++; if (i == files.length) break; } jEdit.setProperty("ta.last_xdd_type", "*" + MiscUtilities.getFileExtension(files[0])); } else { String wmes = "INP file " + w_path_inp + " already exists"; Macros.message(v, wmes); } } } } TAnewINP(view); textArea.goToEndOfLine(false); buffer.insert(textArea.getCaretPosition(), "\n\tLP_Factor(!th2_monochromator, 26.6)"); buffer.insert(textArea.getCaretPosition(), "\n\tCuKa2(0.0001)"); textArea.goToEndOfLine(false); buffer.insert(textArea.getCaretPosition(), "\n\tLP_Factor(!th2_monochromator, 0)"); buffer.insert(textArea.getCaretPosition(), "\n\tCuKa2(0.0001)"); textArea.goToEndOfLine(false); buffer.insert(textArea.getCaretPosition(), "\n\tLP_Factor(!th2_monochromator, 27.26)"); buffer.insert(textArea.getCaretPosition(), "\n\tCuKa1(0.0001)"); textArea.goToEndOfLine(false); buffer.insert(textArea.getCaretPosition(), "\n\tLP_Factor(!th2_monochromator, 27.26)"); buffer.insert(textArea.getCaretPosition(), "\n\tCuKa1(0.0001)"); textArea.goToEndOfLine(false); buffer.insert(textArea.getCaretPosition(), "\n\tLP_Factor(!th2_monochromator, 0)"); buffer.insert(textArea.getCaretPosition(), "\n\tCuKa2(0.0001)"); {%wavelength "Enter Wavelength:"}{@ textArea.goToEndOfLine(false); }\n\tlam ymin_on_ymax 0.0001 la 1.0 lo {$$wavelength} lh 0.5\n\tLP_Factor( 0) 'change the mono angle as required {%wavelength "Enter Wavelength:"}{@ textArea.goToEndOfLine(false); }\n\tlam ymin_on_ymax 0.0001 la 1.0 lo {$$wavelength} lh 0.5 \tneutron_data \tLP_Factor( 90) {%mono "Enter Monochromator angle (e.g. 26.6 graphite/Cu; 27.26 Ge/Cu; 0 for energy dispersive): "}{@ textArea.goToEndOfLine(false); }\n\tLP_Factor(!th2_monochromator, {$$mono}) Macros.getMacro("TAInsertLAM").invoke(view); textArea.goToEndOfLine(false); buffer.insert(textArea.getCaretPosition(), "\n\tVariable_Divergence_Intensity"); textArea.goToEndOfLine(false); buffer.insert(textArea.getCaretPosition(), "\n\tZero_Error(zero,0)"); textArea.goToEndOfLine(false); buffer.insert(textArea.getCaretPosition(), "\n\tSpecimen_Displacement(height,0)"); textArea.goToEndOfLine(false); buffer.insert(textArea.getCaretPosition(), "\n\n\thkl_Is"); buffer.insert(textArea.getCaretPosition(), "\n\t\tTCHZ_Peak_Type(pku, 0.00039,pkv, -0.00221,pkw, -0.00146,!pkx, 0.0000,pky, 0.00957,!pkz, 0.0000)"); buffer.insert(textArea.getCaretPosition(), "\n\t\tSimple_Axial_Model(axial,10)"); {%phname "Enter Phase Name:"}{@ textArea.goToEndOfLine(false) }\n\t\t\phase_name {$$phname} textArea.goToEndOfLine(false); buffer.insert(textArea.getCaretPosition(), "\n\t\tCubic(@ #)"); textArea.goToEndOfLine(false); buffer.insert(textArea.getCaretPosition(), "\n\t\tTetragonal(@ #, @ #)"); textArea.goToEndOfLine(false); buffer.insert(textArea.getCaretPosition(), "\n\t\tHexagonal(@ #, @ #)"); textArea.goToEndOfLine(false); buffer.insert(textArea.getCaretPosition(), "\n\t\tRhombohedral(@ #, @ #)"); textArea.goToEndOfLine(false); buffer.insert(textArea.getCaretPosition(), "\n\t\ta @ #\n\t\tb @ #\n\t\tc @ #\n\t\tal @ #\n\t\tbe @ #\n\t\tga @ #"); {%sgrp "Enter Space Group:"}{@ textArea.goToEndOfLine(false) }\n\t\tspace_group {$$sgrp} TAnewINP(v) { String w_ext = jEdit.getProperty("ta.last_xdd_type"); if (w_ext == null) w_ext = "*.raw"; jEdit.setProperty("vfs.browser.last-filter", w_ext); String w_path = jEdit.getProperty("ta.last_new_inp_dir"); if (w_path == null) { w_path = jEdit.getProperty("ta.main.dir") +"test_examples\\"; } jEdit.setProperty("vfs.browser.last-path", w_path); VFSFileChooserDialog chooser = new VFSFileChooserDialog(v, w_path, VFSBrowser.OPEN_DIALOG, true); String[] files = chooser.getSelectedFiles(); if (files != null) { String w_dir = MiscUtilities.getParentOfPath(files[0]); String w_fn_no_ext = MiscUtilities.getFileNameNoExtension(files[0]); jEdit.setProperty("ta.last_new_inp_dir", w_dir); String w_path_inp = w_dir + w_fn_no_ext + "_riet_01.inp"; b = jEdit.openFile(v, w_path_inp); if (b != null) { if (b.isNewFile()) { t = v.getTextArea(); int i = 0; while(true) { t.goToEndOfLine(false); String w_path = MiscUtilities.getFileName(files[i]); if (w_path.indexOf(' ') != -1) { w_path = "\"" + w_path + "\""; } b.insert(t.getCaretPosition(), "\n'--------------------------------------------------------------"); b.insert(t.getCaretPosition(), "\n'Input File for simple tof Rietveld Refinement"); b.insert(t.getCaretPosition(), "\n'Use save/set current button then run with F6 in topas"); b.insert(t.getCaretPosition(), "\n'Replace $ and # symbols with text/numbers as needed"); b.insert(t.getCaretPosition(), "\n'--------------------------------------------------------------"); b.insert(t.getCaretPosition(), "\n\nr_wp 0 r_exp 0 r_p 0 r_wp_dash 0 r_p_dash 0 r_exp_dash 0 weighted_Durbin_Watson 0 gof 0"); b.insert(t.getCaretPosition(), "\n\n'--------------------------------------------------------------"); b.insert(t.getCaretPosition(), "\n'General information about refinement here\n'Remove comments as required"); b.insert(t.getCaretPosition(), "\n'--------------------------------------------------------------"); b.insert(t.getCaretPosition(), "\n\niters 100000"); b.insert(t.getCaretPosition(), "\nchi2_convergence_criteria 0.001"); b.insert(t.getCaretPosition(), "\n'do_errors"); b.insert(t.getCaretPosition(), "\n\n'--------------------------------------------------------------"); b.insert(t.getCaretPosition(), "\n'Information on datafile etc here"); b.insert(t.getCaretPosition(), "\n'--------------------------------------------------------------"); b.insert(t.getCaretPosition(), "\nTOF_XYE( " + w_path + ", 3)"); b.insert(t.getCaretPosition(), "\n\tx_calculation_step = Yobs_dx_at(Xo); convolution_step 4"); b.insert(t.getCaretPosition(), "\n\tTOF_LAM(0.001)"); b.insert(t.getCaretPosition(), "\n\tscale_pks = D_spacing^4;"); b.insert(t.getCaretPosition(), "\n\tbkg @ 0 0 0 0 0 0"); b.insert(t.getCaretPosition(), "\n\tstart_X #"); b.insert(t.getCaretPosition(), "\n\tfinish_X #"); b.insert(t.getCaretPosition(), "\n"); b.insert(t.getCaretPosition(), "\n\tbkg @ 0 0 0 0 0 0"); i++; if (i == files.length) break; } jEdit.setProperty("ta.last_xdd_type", "*" + MiscUtilities.getFileExtension(files[0])); } else { String wmes = "INP file " + w_path_inp + " already exists"; Macros.message(v, wmes); } } } } TAnewINP(view); textArea.goToEndOfLine(false); buffer.insert(textArea.getCaretPosition(), "\n\n'--------------------------------------------------------------"); buffer.insert(textArea.getCaretPosition(), "\n'Change instrument/peak shape constants from a recent silicon calibration"); buffer.insert(textArea.getCaretPosition(), "\n'Only refine these parameters if you're sure what you're doing"); buffer.insert(textArea.getCaretPosition(), "\n'--------------------------------------------------------------"); buffer.insert(textArea.getCaretPosition(), "\n\tTOF_LAM(0.001)"); buffer.insert(textArea.getCaretPosition(), "\n\tTOF_x_axis_calibration(!t0_hrpd_bs,-16,!difc_hrpd_bs,48262,!difa_hrpd_bs,-8.35)"); buffer.insert(textArea.getCaretPosition(), "\n\tTOF_Exponential(!a1_bs, 230.98670,!a2_bs, 27.018, 4, difc_hrpd_bs, +)"); do_cif(v) { t = v.getTextArea(); b = t.getBuffer(); b.insert(t.getCaretPosition(), "\n\n'--------------------------------------------------------------"); b.insert(t.getCaretPosition(), "\n'Information on structure"); b.insert(t.getCaretPosition(), "\n'Type in phase/space group/cell etc"); b.insert(t.getCaretPosition(), "\n'Comment in/out sections as needed"); b.insert(t.getCaretPosition(), "\n'--------------------------------------------------------------"); jEdit.setProperty("vfs.browser.last-filter", "*.cif"); w_path = jEdit.getProperty("ta.last_cif_path"); if (w_path == null) { w_path = jEdit.getProperty("ta.main.dir") +"cif\\"; } jEdit.setProperty("vfs.browser.last-path", w_path); VFSFileChooserDialog chooser = new VFSFileChooserDialog(v, w_path, VFSBrowser.OPEN_DIALOG, true); String[] files = chooser.getSelectedFiles(); if (files != null) { int i = 0; b.beginCompoundEdit(); while(true) { runInSystemShell(v, jEdit.getProperty("ta.main.dir")); waitForConsole(v); runInSystemShell(v, "cif1 " + "\"" + files[i] + "\" cif1.tmp"); waitForConsole(v); t.goToEndOfLine(false); b.insert(t.getCaretPosition(), "\n"); b.insertFile(v, jEdit.getProperty("ta.main.dir") + "cif1.tmp"); VFSManager.waitForRequests(); i++; if (i == files.length) break; b.insert(t.getCaretPosition(), "\n"); } b.endCompoundEdit(); jEdit.setProperty("ta.last_cif_path", files[0]); } t.goToEndOfLine(false); b.insert(t.getCaretPosition(), "\n\t\tscale @ 0.0001"); b.insert(t.getCaretPosition(), "\n\t\tr_bragg 0"); b.insert(t.getCaretPosition(), "\n\t\ttof_sample_peakshape(lor,0.2,dsp,30,dspsq,1)"); b.insert(t.getCaretPosition(), "\n\t\tPhase_Density_g_on_cm3(0)"); } do_cif(view); textArea.goToEndOfLine(false); buffer.insert(textArea.getCaretPosition(), "\n\t\tview_structure"); textArea.goToEndOfLine(false); buffer.insert(textArea.getCaretPosition(), "\n\t\tPreferred_Orientation(@, 1,, #h #k #l)"); textArea.goToEndOfLine(false); buffer.insert(textArea.getCaretPosition(), "\n\t\tPO_Two_Directions(@, 1,, 1 1 1,@, 1,, ,@, 0.5)"); textArea.goToEndOfLine(false); buffer.insert(textArea.getCaretPosition(), "\n\t\tPO_Spherical_Harmonics(sh, 4)"); TAnewINP(v) { String w_ext = jEdit.getProperty("ta.last_xdd_type"); if (w_ext == null) w_ext = "*.raw"; jEdit.setProperty("vfs.browser.last-filter", w_ext); String w_path = jEdit.getProperty("ta.last_new_inp_dir"); if (w_path == null) { w_path = jEdit.getProperty("ta.main.dir") +"test_examples\\"; } jEdit.setProperty("vfs.browser.last-path", w_path); VFSFileChooserDialog chooser = new VFSFileChooserDialog(v, w_path, VFSBrowser.OPEN_DIALOG, true); String[] files = chooser.getSelectedFiles(); if (files != null) { String w_dir = MiscUtilities.getParentOfPath(files[0]); String w_fn_no_ext = MiscUtilities.getFileNameNoExtension(files[0]); jEdit.setProperty("ta.last_new_inp_dir", w_dir); String w_path_inp = w_dir + w_fn_no_ext + "_pkfit_01.inp"; b = jEdit.openFile(v, w_path_inp); if (b != null) { if (b.isNewFile()) { t = v.getTextArea(); int i = 0; while(true) { t.goToEndOfLine(false); String w_path = MiscUtilities.getFileName(files[i]); if (w_path.indexOf(' ') != -1) { w_path = "\"" + w_path + "\""; } b.insert(t.getCaretPosition(), "\n'--------------------------------------------------------------"); b.insert(t.getCaretPosition(), "\n'Input File for Peak Fitting with overall TCHz peak shape"); b.insert(t.getCaretPosition(), "\n'To find peaks load experimental data into topas"); b.insert(t.getCaretPosition(), "\n'Use View/search peaks then insert peaks"); b.insert(t.getCaretPosition(), "\n'Click on plus sign by file name"); b.insert(t.getCaretPosition(), "\n'Click on peaks phase"); b.insert(t.getCaretPosition(), "\n'Highlight Position and Area columns, right click to copy then paste below"); b.insert(t.getCaretPosition(), "\n'Use save/set current button then run with F6 in topas"); b.insert(t.getCaretPosition(), "\n'--------------------------------------------------------------"); b.insert(t.getCaretPosition(), "\n\nr_wp 0 r_exp 0 r_p 0 r_wp_dash 0 r_p_dash 0 r_exp_dash 0 weighted_Durbin_Watson 0 gof 0"); b.insert(t.getCaretPosition(), "\n\n'--------------------------------------------------------------"); b.insert(t.getCaretPosition(), "\n'General information about refinement here\n'Remove comments as required"); b.insert(t.getCaretPosition(), "\n'--------------------------------------------------------------"); b.insert(t.getCaretPosition(), "\niters 100000"); b.insert(t.getCaretPosition(), "\nchi2_convergence_criteria 0.001"); b.insert(t.getCaretPosition(), "\n'do_errors"); b.insert(t.getCaretPosition(), "\n\n'--------------------------------------------------------------"); b.insert(t.getCaretPosition(), "\n'Information on datafile etc here"); b.insert(t.getCaretPosition(), "\n'--------------------------------------------------------------"); b.insert(t.getCaretPosition(), "\nxdd " + w_path); b.insert(t.getCaretPosition(), "\n\tx_calculation_step = Yobs_dx_at(Xo); convolution_step 4"); i++; if (i == files.length) break; } jEdit.setProperty("ta.last_xdd_type", "*" + MiscUtilities.getFileExtension(files[0])); } else { String wmes = "INP file " + w_path_inp + " already exists"; Macros.message(v, wmes); } } } } TAnewINP(view); textArea.goToEndOfLine(false); buffer.insert(textArea.getCaretPosition(), "\n\tLP_Factor(!th2_monochromator, 26.6)"); buffer.insert(textArea.getCaretPosition(), "\n\tCuKa2(0.0001)"); textArea.goToEndOfLine(false); buffer.insert(textArea.getCaretPosition(), "\n\tLP_Factor(!th2_monochromator, 0)"); buffer.insert(textArea.getCaretPosition(), "\n\tCuKa2(0.0001)"); textArea.goToEndOfLine(false); buffer.insert(textArea.getCaretPosition(), "\n\tLP_Factor(!th2_monochromator, 27.26)"); buffer.insert(textArea.getCaretPosition(), "\n\tCuKa1(0.0001)"); textArea.goToEndOfLine(false); buffer.insert(textArea.getCaretPosition(), "\n\tLP_Factor(!th2_monochromator, 27.26)"); buffer.insert(textArea.getCaretPosition(), "\n\tCuKa1(0.0001)"); textArea.goToEndOfLine(false); buffer.insert(textArea.getCaretPosition(), "\n\tLP_Factor(!th2_monochromator, 0)"); buffer.insert(textArea.getCaretPosition(), "\n\tCuKa2(0.0001)"); {%wavelength "Enter Wavelength:"}{@ textArea.goToEndOfLine(false); }\n\tlam ymin_on_ymax 0.0001 la 1.0 lo {$$wavelength} lh 0.5\n\tLP_Factor( 0) 'change the mono angle as required {%wavelength "Enter Wavelength:"}{@ textArea.goToEndOfLine(false); }\n\tlam ymin_on_ymax 0.0001 la 1.0 lo {$$wavelength} lh 0.5 {%mono "Enter Monochromator angle (e.g. 26.6 graphite/Cu; 27.26 Ge/Cu; 0 for energy dispersive): "}{@ textArea.goToEndOfLine(false); }\n\tLP_Factor(!th2_monochromator, {$$mono}) Macros.getMacro("TAInsertLAM").invoke(view); textArea.goToEndOfLine(false); buffer.insert(textArea.getCaretPosition(), "\n\tSimple_Axial_Model(axial,10)"); buffer.insert(textArea.getCaretPosition(), "\n\tbkg @ 0 0 0 0 0 0"); buffer.insert(textArea.getCaretPosition(), "\n\n\txo_Is"); buffer.insert(textArea.getCaretPosition(), "\n\tTCHZ_Peak_Type(pku, 0.00039,pkv, -0.00221,pkw, -0.00146,!pkx, 0.0000,pky, 0.00957,!pkz, 0.0000)"); buffer.insert(textArea.getCaretPosition(), "\n\tload xo I {"); buffer.insert(textArea.getCaretPosition(), "\n'copy peak position and intensity here"); buffer.insert(textArea.getCaretPosition(), "\n'insert @'s before 2th and area to refine"); buffer.insert(textArea.getCaretPosition(), "\n"); buffer.insert(textArea.getCaretPosition(), "\n\t}"); buffer.insert(textArea.getCaretPosition(), "\n"); textArea.goToBufferStart(false); buffer.insert(textArea.getCaretPosition(), "'--------------------------------------------------------------"); buffer.insert(textArea.getCaretPosition(), "\n'Input File for Indexing powder data"); buffer.insert(textArea.getCaretPosition(), "\n\n'Paste 2theta/Area values from peak fitting"); buffer.insert(textArea.getCaretPosition(), "\n'Comment out header line and any peaks you don't want to include"); buffer.insert(textArea.getCaretPosition(), "\n'e.g. exclude high angle and weak/broad peaks"); buffer.insert(textArea.getCaretPosition(), "\n'Change wavelength as needed"); buffer.insert(textArea.getCaretPosition(), "\n'Comment out any crystal systems not to be checked"); buffer.insert(textArea.getCaretPosition(), "\n'Load filename.ndx after running"); buffer.insert(textArea.getCaretPosition(), "\n\n'Use save/set current button then run with F6 in TOPAS-Academic"); buffer.insert(textArea.getCaretPosition(), "\n'--------------------------------------------------------------"); buffer.insert(textArea.getCaretPosition(), "\nseed "); buffer.insert(textArea.getCaretPosition(), "\nindex_zero_error "); buffer.insert(textArea.getCaretPosition(), "\nindex_lam 1.5406"); buffer.insert(textArea.getCaretPosition(), "\nindex_min_lp 1 "); buffer.insert(textArea.getCaretPosition(), "\nindex_max_lp 40 "); buffer.insert(textArea.getCaretPosition(), "\n"); buffer.insert(textArea.getCaretPosition(), "\nBravais_Cubic_sgs "); buffer.insert(textArea.getCaretPosition(), "\nBravais_Trigonal_Hexagonal_sgs "); buffer.insert(textArea.getCaretPosition(), "\nBravais_Tetragonal_sgs "); buffer.insert(textArea.getCaretPosition(), "\nBravais_Orthorhombic_sgs "); buffer.insert(textArea.getCaretPosition(), "\nBravais_Monoclinic_sgs "); buffer.insert(textArea.getCaretPosition(), "\nBravais_Triclinic_sgs "); buffer.insert(textArea.getCaretPosition(), "\n"); buffer.insert(textArea.getCaretPosition(), "\nload index_th2 index_I {"); buffer.insert(textArea.getCaretPosition(), "\n'Paste position and area values below here"); buffer.insert(textArea.getCaretPosition(), "\n"); buffer.insert(textArea.getCaretPosition(), "\n"); buffer.insert(textArea.getCaretPosition(), "\n}"); TAnewINP(v) { String w_ext = jEdit.getProperty("ta.last_xdd_type"); if (w_ext == null) w_ext = "*.raw"; jEdit.setProperty("vfs.browser.last-filter", w_ext); String w_path = jEdit.getProperty("ta.last_new_inp_dir"); if (w_path == null) { w_path = jEdit.getProperty("ta.main.dir") +"test_examples\\"; } jEdit.setProperty("vfs.browser.last-path", w_path); VFSFileChooserDialog chooser = new VFSFileChooserDialog(v, w_path, VFSBrowser.OPEN_DIALOG, true); String[] files = chooser.getSelectedFiles(); if (files != null) { String w_dir = MiscUtilities.getParentOfPath(files[0]); String w_fn_no_ext = MiscUtilities.getFileNameNoExtension(files[0]); jEdit.setProperty("ta.last_new_inp_dir", w_dir); String w_path_inp = w_dir + w_fn_no_ext + "_xtal_01.inp"; b = jEdit.openFile(v, w_path_inp); if (b != null) { if (b.isNewFile()) { t = v.getTextArea(); int i = 0; while(true) { t.goToEndOfLine(false); String w_path = MiscUtilities.getFileName(files[i]); if (w_path.indexOf(' ') != -1) { w_path = "\"" + w_path + "\""; } b.insert(t.getCaretPosition(), "\n'--------------------------------------------------------------"); b.insert(t.getCaretPosition(), "\n'Input File for simple single crystal refinement"); b.insert(t.getCaretPosition(), "\n'Use save/set current button then run with F6 in topas"); b.insert(t.getCaretPosition(), "\n'Replace $ and # symbols with text/numbers as needed"); b.insert(t.getCaretPosition(), "\n'--------------------------------------------------------------"); b.insert(t.getCaretPosition(), "\n\nr_wp 0 "); b.insert(t.getCaretPosition(), "\nr_p 0 "); b.insert(t.getCaretPosition(), "\ngof 0 "); b.insert(t.getCaretPosition(), "\n\n'--------------------------------------------------------------"); b.insert(t.getCaretPosition(), "\n'General information about refinement here\n'Remove comments as required"); b.insert(t.getCaretPosition(), "\n'--------------------------------------------------------------"); b.insert(t.getCaretPosition(), "\n\niters 100000"); b.insert(t.getCaretPosition(), "\nchi2_convergence_criteria 0.001"); b.insert(t.getCaretPosition(), "\n'do_errors"); b.insert(t.getCaretPosition(), "\n\n'--------------------------------------------------------------"); b.insert(t.getCaretPosition(), "\n'Information on datafile etc here"); b.insert(t.getCaretPosition(), "\n'--------------------------------------------------------------"); b.insert(t.getCaretPosition(), "\nxdd_scr " + w_path ); b.insert(t.getCaretPosition(), "\n\tweighting = If(Yobs<1,1,(1/Yobs));"); b.insert(t.getCaretPosition(), "\n\tfinish_X 180"); b.insert(t.getCaretPosition(), "\n\tfinish_X 180"); b.insert(t.getCaretPosition(), "\n"); i++; if (i == files.length) break; } jEdit.setProperty("ta.last_xdd_type", "*" + MiscUtilities.getFileExtension(files[0])); } else { String wmes = "INP file " + w_path_inp + " already exists"; Macros.message(v, wmes); } } } } TAnewINP(view); textArea.goToEndOfLine(false); buffer.insert(textArea.getCaretPosition(), "\tlam la 1 lo 0.71073 lh 0.5 ymin_on_ymax 0.0001"); textArea.goToEndOfLine(false); buffer.insert(textArea.getCaretPosition(), "\tlam la 1 lo 1.5406 lh 0.5 ymin_on_ymax 0.0001"); do_cif(v) { t = v.getTextArea(); b = t.getBuffer(); b.insert(t.getCaretPosition(), "\n\n'--------------------------------------------------------------"); b.insert(t.getCaretPosition(), "\n'Information on structure"); b.insert(t.getCaretPosition(), "\n'Type in phase/space group/cell etc"); b.insert(t.getCaretPosition(), "\n'Comment in/out sections as needed"); b.insert(t.getCaretPosition(), "\n'--------------------------------------------------------------"); jEdit.setProperty("vfs.browser.last-filter", "*.cif"); w_path = jEdit.getProperty("ta.last_cif_path"); if (w_path == null) { w_path = jEdit.getProperty("ta.main.dir") +"cif\\"; } jEdit.setProperty("vfs.browser.last-path", w_path); VFSFileChooserDialog chooser = new VFSFileChooserDialog(v, w_path, VFSBrowser.OPEN_DIALOG, true); String[] files = chooser.getSelectedFiles(); if (files != null) { int i = 0; b.beginCompoundEdit(); while(true) { runInSystemShell(v, jEdit.getProperty("ta.main.dir")); waitForConsole(v); runInSystemShell(v, "cif1 " + "\"" + files[i] + "\" cif1.tmp"); waitForConsole(v); t.goToEndOfLine(false); b.insert(t.getCaretPosition(), "\n"); b.insertFile(v, jEdit.getProperty("ta.main.dir") + "cif1.tmp"); VFSManager.waitForRequests(); i++; if (i == files.length) break; b.insert(t.getCaretPosition(), "\n"); } b.endCompoundEdit(); jEdit.setProperty("ta.last_cif_path", files[0]); } t.goToEndOfLine(false); b.insert(t.getCaretPosition(), "\n\t\tscale @ 0.0001"); b.insert(t.getCaretPosition(), "\n\t\tr_bragg 0"); b.insert(t.getCaretPosition(), "\n\t\tPhase_Density_g_on_cm3(0)"); } do_cif(view); textArea.goToEndOfLine(false); buffer.insert(textArea.getCaretPosition(), "\n\n'--------------------------------------------------------------"); buffer.insert(textArea.getCaretPosition(), "\n'Information on structure"); buffer.insert(textArea.getCaretPosition(), "\n'Type in phase/space group/cell etc"); buffer.insert(textArea.getCaretPosition(), "\n'Comment in/out sections as needed"); buffer.insert(textArea.getCaretPosition(), "\n'--------------------------------------------------------------"); buffer.insert(textArea.getCaretPosition(), "\n\n\tstr"); buffer.insert(textArea.getCaretPosition(), "\n\t\tscale @ 0.0001"); buffer.insert(textArea.getCaretPosition(), "\n\t\tPhase_Density_g_on_cm3(0)"); buffer.insert(textArea.getCaretPosition(), "\n\t\t'append_bond_lengths"); buffer.insert(textArea.getCaretPosition(), "\n\t\t'Out_FCF(" + buffer.getPath() + ".cif)"); {%sgrp "Enter Space Group:"}{@ textArea.goToEndOfLine(false) }\n\t\tspace_group {$$sgrp} {%phname "Enter Phase Name:"}{@ textArea.goToEndOfLine(false) }\n\t\t\phase_name {$$phname} textArea.goToEndOfLine(false); buffer.insert(textArea.getCaretPosition(), "\n\t\tCubic(@ #)"); textArea.goToEndOfLine(false); buffer.insert(textArea.getCaretPosition(), "\n\t\tTetragonal(@ #, @ #)"); textArea.goToEndOfLine(false); buffer.insert(textArea.getCaretPosition(), "\n\t\tHexagonal(@ #, @ #)"); textArea.goToEndOfLine(false); buffer.insert(textArea.getCaretPosition(), "\n\t\tRhombohedral(@ #, @ #)"); textArea.goToEndOfLine(false); buffer.insert(textArea.getCaretPosition(), "\n\t\ta @ #\n\t\tb @ #\n\t\tc @ #\n\t\tal @ #\n\t\tbe @ #\n\t\tga @ #"); textArea.goToEndOfLine(false); buffer.insert(textArea.getCaretPosition(), "\n\t\tsite $site x # y # z # occ $atom # beq #"); textArea.goToEndOfLine(false); buffer.insert(textArea.getCaretPosition(), "\n\t\ttweightingsite $site x # y # z # occ $atom # adps"); textArea.goToEndOfLine(false); buffer.insert(textArea.getCaretPosition(), "\n\t\tview_structure"); {%wavelength "Enter Wavelength:"}{@ textArea.goToEndOfLine(false) }\n\tlam ymin_on_ymax 0.0001 la 1.0 lo {$$wavelength} lh 0.5 textArea.goToEndOfLine(false); buffer.insert(textArea.getCaretPosition(), "\n\tstart_X #"); textArea.goToEndOfLine(false); buffer.insert(textArea.getCaretPosition(), "\n\tfinish_X #"); textArea.goToEndOfLine(false); buffer.insert(textArea.getCaretPosition(), "\n'Approximate method - better to add second phase"); buffer.insert(textArea.getCaretPosition(), "\n\tla @ 0.0010 lo 1.39222 lh 0.5 'CU KB"); buffer.insert(textArea.getCaretPosition(), "\n\tla @ 0.0010 lo 1.47639 lh 0.5 'W LA"); textArea.goToEndOfLine(false); buffer.insert(textArea.getCaretPosition(), "\n\tappend_bond_lengths"); textArea.goToEndOfLine(false); buffer.insert(textArea.getCaretPosition(), "\n\tDistance_Restrain($site1 $site2, #ideal_dist, 0.000, #tolerance, #weight)"); textArea.goToEndOfLine(false); buffer.insert(textArea.getCaretPosition(), "\n\tdo_errors"); {%phname "Enter Phase Name:"}{@ textArea.goToEndOfLine(false) }\n\t\t\phase_name {$$phname} textArea.goToEndOfLine(false); buffer.insert(textArea.getCaretPosition(), "\n\tcalc_pattern(10,90,0.02,calc.xy)"); do_cif(v) { t = v.getTextArea(); b = t.getBuffer(); t.goToEndOfLine(false); b.insert(t.getCaretPosition(), "'--------------------------------------------------------------"); b.insert(t.getCaretPosition(), "\n'Calculated Pattern"); b.insert(t.getCaretPosition(), "\n'Assumes Cu Ka2, no monochromator"); b.insert(t.getCaretPosition(), "\n'Change as appropriate"); b.insert(t.getCaretPosition(), "\n'Youll need Durham calc_pattern macro:"); b.insert(t.getCaretPosition(), "\n'macro calc_pattern(start,stop,step,filename) {yobs_eqn !aac.xy = 1; min start max stop del step xdd_out filename load out_record out_fmt out_eqn { \" %11.5f \" = X; \" %11.5f\\n\" = Ycalc;}}"); b.insert(t.getCaretPosition(), "\n'is similar"); b.insert(t.getCaretPosition(), "\n'--------------------------------------------------------------"); b.insert(t.getCaretPosition(), "\niters 0"); b.insert(t.getCaretPosition(), "\ncalc_pattern(10,90,0.02,calc.xy)"); b.insert(t.getCaretPosition(), "\nLP_Factor(!th2_monochromator, 0)"); b.insert(t.getCaretPosition(), "\nCuKa2(0.0001)"); b.insert(t.getCaretPosition(), "\n'--------------------------------------------------------------"); b.insert(t.getCaretPosition(), "\n'Information on structure - add beq values as needed"); b.insert(t.getCaretPosition(), "\n'--------------------------------------------------------------"); jEdit.setProperty("vfs.browser.last-filter", "*.cif"); w_path = jEdit.getProperty("ta.last_cif_path"); if (w_path == null) { w_path = jEdit.getProperty("ta.main.dir") +"cif\\"; } jEdit.setProperty("vfs.browser.last-path", w_path); waitForConsole(v); VFSFileChooserDialog chooser = new VFSFileChooserDialog(v, w_path, VFSBrowser.OPEN_DIALOG, true); String[] files = chooser.getSelectedFiles(); if (files != null) { int i = 0; b.beginCompoundEdit(); while(true) { runInSystemShell(v, jEdit.getProperty("ta.main.dir")); waitForConsole(v); runInSystemShell(v, "cif1 " + "\"" + files[i] + "\" cif1.tmp"); waitForConsole(v); t.goToEndOfLine(false); b.insert(t.getCaretPosition(), "\n"); b.insertFile(v, jEdit.getProperty("ta.main.dir") + "cif1.tmp"); VFSManager.waitForRequests(); i++; if (i == files.length) break; b.insert(t.getCaretPosition(), "\n"); } b.endCompoundEdit(); jEdit.setProperty("ta.last_cif_path", files[0]); } t.goToEndOfLine(false); b.insert(t.getCaretPosition(), "\n\t\tscale 0.001"); b.insert(t.getCaretPosition(), "\n\t\tr_bragg 0"); b.insert(t.getCaretPosition(), "\n\t\tTCHZ_Peak_Type(!pku, 0.00039,!pkv, -0.00221,!pkw, -0.00146,!pkx, 0.0000,!pky, 0.00957,!pkz, 0.0000)"); b.insert(t.getCaretPosition(), "\n\t\tSimple_Axial_Model(!axial,0)"); b.insert(t.getCaretPosition(), "\n\t\tPhase_Density_g_on_cm3(0)"); } do_cif(view); textArea.goToEndOfLine(false); buffer.insert(textArea.getCaretPosition(), "\nno_LIMIT_warnings"); Macros.getMacro("TAInsertSTR").invoke(view); {%alphaval "Enter Incident Beam Angle in degrees:"}{@ textArea.goToEndOfLine(false) }\n\tFIXEDTHETA(alpha, {$$alphaval})\n\tSDINEL(!delta,0,!alpha,{$$alphaval})