From 59f4a8b40a0278b307983434716a9f2759b2ebf6 Mon Sep 17 00:00:00 2001 From: Aditya Wibawa Sakti Date: Wed, 17 Aug 2022 20:41:30 +0700 Subject: [PATCH] mod gui --- cmmde_gui/gui.py | 5 +++-- 1 file changed, 3 insertions(+), 2 deletions(-) diff --git a/cmmde_gui/gui.py b/cmmde_gui/gui.py index e70c9d2..fc69a87 100755 --- a/cmmde_gui/gui.py +++ b/cmmde_gui/gui.py @@ -135,7 +135,7 @@ def cmmde_gui(): # RunMessage.value = "Perhitungan telah tersubmit!" - download_xyz = pn.widgets.FileDownload(file="cmmd.xyz",filename="optimized.xyz") + download_opt = pn.widgets.FileDownload(file="cmmd.xyz",filename="optimized.xyz") Run_btn.on_click(run) @@ -265,6 +265,7 @@ def cmmde_gui(): # # Download Button download_slab = pn.widgets.FileDownload(file="slab.vasp",filename="slab.vasp") + download_slab_xyz = pn.widgets.FileDownload(file="cmmd.xyz",filename="slab.xyz") download_spec_plot = pn.widgets.FileDownload(file="IR.pdf",filename="IR.pdf") download_spec_raw = pn.widgets.FileDownload(file="IR_fit.dat".format(workdir+"/"+id_input.value+"/"+Molecule_input.value+"/"+"ir"),filename="IR_fit.dat") download_opt_plot = pn.widgets.FileDownload(file="optimized.pdf",filename="optimized.pdf") @@ -380,7 +381,7 @@ def cmmde_gui(): site="Computational Molecular and Material Design Environment", title="CMMDE", main=[TextArea, editor, xyzviewer], - sidebar=[pn.Card(id_input,title="User Information",collapsed=True),pn.Card(Molecule_input,charge,mult,checkdir_btn,TextWarning,pn.Card(FileInput,title="Upload molecule",collapsed=True),title="Molecule Information",collapsed=True),pn.Card(Material_input, materialdir_btn,TextWarning, pn.Card(Material_upload,title="Unit cell",collapsed=True),hkl_input,size_input,layer_input,pn.Row(slabbuilder_btn,visual_btn),pn.Row(download_xyz,download_slab),title="Surface Builder",collapsed=True),pn.Card(software_main,job_main,method_btn, dispersion_cor,solvent, pn.Row(Run_btn,Progress_btn),pn.Row(Checkcalc_btn_main,visual_btn),download_xyz,title="Main Calculation",collapsed=True),pn.Card(post_software_main,post_btn,post_method_btn,dispersion_cor,solvent,pn.Row(runpost_btn,Progress_btn),pn.Row(Checkcalc_btn_post),pn.Row(download_spec_raw,download_spec_plot),pn.Row(download_opt_raw,download_opt_plot),title="Post-Calculation",collapsed=True)], + sidebar=[pn.Card(id_input,title="User Information",collapsed=True),pn.Card(Molecule_input,charge,mult,checkdir_btn,TextWarning,pn.Card(FileInput,title="Upload molecule",collapsed=True),title="Molecule Information",collapsed=True),pn.Card(Material_input, materialdir_btn,TextWarning, pn.Card(Material_upload,title="Unit cell",collapsed=True),hkl_input,size_input,layer_input,pn.Row(slabbuilder_btn,visual_btn),pn.Row(download_slab_xyz,download_slab),title="Surface Builder",collapsed=True),pn.Card(software_main,job_main,method_btn, dispersion_cor,solvent, pn.Row(Run_btn,Progress_btn),pn.Row(Checkcalc_btn_main,visual_btn),download_opt,title="Main Calculation",collapsed=True),pn.Card(post_software_main,post_btn,post_method_btn,dispersion_cor,solvent,pn.Row(runpost_btn,Progress_btn),pn.Row(Checkcalc_btn_post),pn.Row(download_spec_raw,download_spec_plot),pn.Row(download_opt_raw,download_opt_plot),title="Post-Calculation",collapsed=True)], header_background=accent, accent_base_color=accent )