CoreDev
/
CMMDE
4
1
Fork 0
Code Issues 2 Pull Requests Packages Projects Releases Wiki Activity

mod gui

Browse Source
Aditya Wibawa Sakti 3 years ago
parent 7f5f956250
commit 59f4a8b40a
1 changed files with 3 additions and 2 deletions
Whitespace
Show all changes Ignore whitespace when comparing lines Ignore changes in amount of whitespace Ignore changes in whitespace at EOL
Split View
Diff Options
Show Stats Download Patch File Download Diff File
  1. 5
      cmmde_gui/gui.py

5
cmmde_gui/gui.py
Unescape View File

@ -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
)

Write Preview
Loading…
Cancel
Save