flt/tools
2
2
Fork 1
Code Issues 4 Pull Requests Actions Packages Projects Releases Wiki Activity

Reaction enhance

Browse Source
This commit is contained in:
flt6
2025-08-07 21:24:04 +08:00
parent c92340afd3
commit 33e2aaa79a
1 changed files with 2 additions and 1 deletions
Download Patch File Download Diff File Expand all files Collapse all files

3
cord/main.py
View File

@ -128,7 +128,6 @@ def load_data(file):
else: else:
exit() exit()
num_factors = data.shape[0] * 2
INFLU_FACTORS = [0.5] * data.shape[0] * 2 # 动态创建数组 INFLU_FACTORS = [0.5] * data.shape[0] * 2 # 动态创建数组
ene = data["Energy"].to_numpy() ene = data["Energy"].to_numpy()
@ -159,6 +158,8 @@ with col1:
fig,lines = plot_reaction_coordinate() fig,lines = plot_reaction_coordinate()
stfig = st.pyplot(fig,False) stfig = st.pyplot(fig,False)
st.slider("字体大小",8,20, value=12, key="font_size",
on_change=lambda: plt.rcParams.update({'font.size': st.session_state.get("font_size", 12)}))
st.selectbox("导出文件拓展名",[".tiff",".pdf",".png",".pgf"],key="export_format") st.selectbox("导出文件拓展名",[".tiff",".pdf",".png",".pgf"],key="export_format")
st.download_button( st.download_button(
label="Download Plot", label="Download Plot",