Merge pull request #1 from lifs-tools/streamlit-ui

Streamlit UI

webgui/lx2_web_gui.py

@@ -0,0 +1,64 @@
+# File Selection Drop Down
+import streamlit as st
+from pathlib import Path
+
+# from https://discuss.streamlit.io/t/upload-files-to-streamlit-app/80/46
+# def st_file_selector(st_placeholder, path=".", label="Please, select a file/folder..."):
+#     # get base path (directory)
+#     base_path = "." if path is None or path is "" else path
+#     base_path = base_path if os.path.isdir(base_path) else os.path.dirname(base_path)
+#     base_path = "." if base_path is None or base_path is "" else base_path
+#     # list files in base path directory
+#     files = os.listdir(base_path)
+#     if base_path is not ".":
+#         files.insert(0, "..")
+#     files.insert(0, ".")
+#     selected_file = st_placeholder.selectbox(label=label, options=files, key=base_path)
+#     selected_path = os.path.normpath(os.path.join(base_path, selected_file))
+#     if selected_file is ".":
+#         return selected_path
+#     if os.path.isdir(selected_path):
+#         selected_path = st_file_selector(
+#             st_placeholder=st_placeholder, path=selected_path, label=label
+#         )
+#     return selected_path
+
+
+st.title("LipidXplorer Web dev")
+folder_path = st.text_input("Path to MZML files")
+p = Path(folder_path)
+if p.is_dir:
+    st.write(folder_path)
+
+with st.expander("See files"):
+    for i in p.iterdir():
+        st.write(i)
+
+with st.expander("Set limits"):
+    mode = st.radio("Mode", ["pos", "neg", "both"])
+    seconds = st.slider("Select a Time range in seconds", 0.0, 100.0, (0.0, 75.0))
+    seconds = st.slider("Select m/z range ", 200.0, 1000.0, (300.0, 1200.0))
+
+with st.expander("Offset and calibration"):
+    offset_ms1 = st.number_input("MS1 offset")
+
+with st.expander("Tolerance & resolution"):
+    tolerance_ms1 = st.number_input("Identification  Tolerance")
+    resolution_ms1 = st.number_input("Grouping resolution")
+    resolution_gradient_ms1 = st.number_input("Resolution Gradient")
+    """TODO provide the resolition at m/z for two points to self calculate"""
+    sel_window_st = st.empty()
+    if True:
+        prec_sel_tol = sel_window_st.number_input("Precursor assignment tolerance")
+
+with st.expander("Filtering"):
+    col1, col2 = st.columns(2)
+    min_intensity = col1.number_input("min intensity")
+    min_intensity_type = col2.radio("type", ["ppm", "absolute"])
+    frequency_rate = st.number_input("min repetition rate")
+    min_ocupation = st.number_input("min occupation")
+
+with st.expander("Logging"):
+    save_mastersscan_as_csv = st.checkbox("save mastersscan as csv")
+    log_isotopic_correction = st.checkbox("log isotopic correction")
+