Update app.py

some corrections on how delete components

app.py

@@ -26,14 +26,14 @@ st.markdown(
 
 R = 10.73
 components = {
-    #'CO2': {'Tc': 547.91, 'Pc': 1071.0, 'omega': 0.2667, 'vol_shift': 0.0344, 'm_w': 0},
+    'CO2': {'Tc': 547.91, 'Pc': 1071.0, 'omega': 0.2667, 'vol_shift': 0.0344, 'm_w': 0},
     'C1': {'Tc': 343.33, 'Pc': 666.4, 'omega': 0.0080, 'vol_shift': -0.0833, 'm_w': 16.0430},
-    #'C2': {'Tc': 549.92, 'Pc': 706.5, 'omega': 0.0979, 'vol_shift': 0.0783, 'm_w': 0},
+    'C2': {'Tc': 549.92, 'Pc': 706.5, 'omega': 0.0979, 'vol_shift': 0.0783, 'm_w': 0},
     'C3' : {'Tc': 666.06, 'Pc': 616.0, 'omega': 0.1522, 'vol_shift': -0.1000, 'm_w': 44.0970},
-    #'iC4': {'Tc': 734.46, 'Pc': 527.9, 'omega': 0.1852, 'vol_shift': 0.0714, 'm_w': 0},
+    'iC4': {'Tc': 734.46, 'Pc': 527.9, 'omega': 0.1852, 'vol_shift': 0.0714, 'm_w': 0},
     'nC4': {'Tc': 765.62, 'Pc': 550.6, 'omega': 0.1930, 'vol_shift': -0.1000, 'm_w': 58.1240},
-    #'iC5': {'Tc': 829.10, 'Pc': 490.4, 'omega': 0.2280, 'vol_shift': 0.0679, 'm_w': 0},
-    #'nC5': {'Tc': 845.80, 'Pc': 488.6, 'omega': 0.2514, 'vol_shift': 0.0675, 'm_w': 0},
+    'iC5': {'Tc': 829.10, 'Pc': 490.4, 'omega': 0.2280, 'vol_shift': 0.0679, 'm_w': 0},
+    'nC5': {'Tc': 845.80, 'Pc': 488.6, 'omega': 0.2514, 'vol_shift': 0.0675, 'm_w': 0},
     'nC6': {'Tc': 913.60, 'Pc': 430.59, 'omega': 0.2960, 'vol_shift': 0.0200, 'm_w': 86.1780},
     'nC10': {'Tc': 1111.00, 'Pc': 305.2, 'omega': 0.4898, 'vol_shift': 0.2600, 'm_w': 142.2850},
 }
@@ -66,25 +66,35 @@ if st.button("Add component"):
 # Display selected components with an option to remove them
 selected_components = st.session_state["selected_components"]
 
+if "selected_components" not in st.session_state:
+    st.session_state["selected_components"] = ["Component 1", "Component 2", "Component 3"]
+
+selected_components = st.session_state["selected_components"]
 st.write("### Selected Components")
 if selected_components:
-    for component in selected_components:
-        col1, col2 = st.columns([3, 1])
-        with col1:
-            st.write(component)  # Display the component name
-        with col2:
-            if st.button(f"Remove {component}", key=f"remove_{component}"):
-                st.session_state["selected_components"].remove(component)
-                st.experimental_rerun()  # Refresh the app to reflect changes
+    # Generar un identificador único para evitar conflictos
+    dynamic_key = str(hash(tuple(selected_components)))
+    
+    # Permite seleccionar varios componentes para eliminarlos
+    components_to_remove = st.multiselect(
+        "Select components to remove:", 
+        options=selected_components,
+        key=dynamic_key
+    )
+    
+    if st.button("Remove Selected"):
+        for component in components_to_remove:
+            st.session_state["selected_components"].remove(component)
+
+    st.write(f"Remaining components: {st.session_state['selected_components']}")
 else:
     st.info("No components selected yet.")
 
-# Entrada manual de concentraciones
 concentrations = {}
 if selected_components:
     st.write("Enter concentrations for the selected components:")
     for comp in selected_components:
-        input_value = st.text_input(f"Concentración de {comp}:", value="0.1")
+        input_value = st.text_input(f"Concentration of {comp}:", value="0.1")
         try:
             concentrations[comp] = float(input_value)
         except ValueError:
@@ -93,10 +103,10 @@ if selected_components:
 
 # Normalizar concentraciones
 ci = np.array([concentrations[comp] for comp in selected_components])
-if np.sum(ci) > 0:
-    ci /= np.sum(ci)
-else:
-    st.error("The sum of the concentrations must be greater than 0.")
+#if np.sum(ci) > 0:
+#    ci /= np.sum(ci)
+#else:
+#    st.error("The sum of the concentrations must be greater than 0.")
 
 T = st.slider("Temperature (°F):", min_value=-100.0, max_value=300.0, value=160.0) + 459.67
 P = st.slider("Pressure (psia):", min_value=50.0, max_value=5000.0, value=2000.0)
@@ -320,40 +330,42 @@ def ssm_method(P, T, ci, kij, components, tol=1e-3, max_iter=100):
     print("Warning: Convergence was not achieved.")
     return Ki, None, None, None, None, max_iter
 
-if selected_components:
-    # Call the method to calculate results
-    Ki, Z_liq, Z_vap, f_liq, f_vap, molar_density_liq, mass_density_liq, molar_density_vap, mass_density_vap, fng, xi, yi, iteration = ssm_method(
-        P, T, ci, kij, components, tol=tolerance, max_iter=100
-    )
-
-    # Display unique values outside the table
-    st.write("### Global Results")
-    st.write(f"**tolerance:** {tolerance}")
-    st.write(f"**liquid Mole frac:** {1-fng:.6f}")
-    st.write(f"**vapor Mole frac:** {fng:.6f}")
-    st.write(f"**Z_liq (liquid):** {Z_liq:.6f}")
-    st.write(f"**Z_vap (vapor):** {Z_vap:.6f}")
-    st.write(f"**Molar Density (liquid):** {molar_density_liq:.6f} lb-mole/ft³")
-    st.write(f"**Mass Density (liquid):** {mass_density_liq:.6f} lb/ft³")
-    st.write(f"**Molar Density (vapor):** {molar_density_vap:.6f} lb-mole/ft³")
-    st.write(f"**Mass Density (vapor):** {mass_density_vap:.6f} lb/ft³")
-    st.write(f"**Iterations:** {iteration}")
-
-    # Prepare per-component data for the table
-    st.write("### Per-Component Results")
-    data = {
-        "Component": selected_components,
-        "K-value": Ki,
-        "Liquid Fugacity": f_liq,
-        "Vapor Fugacity": f_vap,
-        "Liquid component xi": xi,
-        "Vapor component yi": yi,
-    }
-
-    # Create DataFrame and display it in Streamlit
-    import pandas as pd
-    df = pd.DataFrame(data)
-    st.table(df)
-
+if len(selected_components)>1:
+    if np.sum(ci)==1:
+        # Call the method to calculate results
+        Ki, Z_liq, Z_vap, f_liq, f_vap, molar_density_liq, mass_density_liq, molar_density_vap, mass_density_vap, fng, xi, yi, iteration = ssm_method(
+            P, T, ci, kij, components, tol=tolerance, max_iter=100
+        )
+    
+        # Display unique values outside the table
+        st.write("### Global Results")
+        st.write(f"**tolerance:** {tolerance}")
+        st.write(f"**liquid Mole frac:** {1-fng:.6f}")
+        st.write(f"**vapor Mole frac:** {fng:.6f}")
+        st.write(f"**Z_liq (liquid):** {Z_liq:.6f}")
+        st.write(f"**Z_vap (vapor):** {Z_vap:.6f}")
+        st.write(f"**Molar Density (liquid):** {molar_density_liq:.6f} lb-mole/ft³")
+        st.write(f"**Mass Density (liquid):** {mass_density_liq:.6f} lb/ft³")
+        st.write(f"**Molar Density (vapor):** {molar_density_vap:.6f} lb-mole/ft³")
+        st.write(f"**Mass Density (vapor):** {mass_density_vap:.6f} lb/ft³")
+        st.write(f"**Iterations:** {iteration}")
+    
+        # Prepare per-component data for the table
+        st.write("### Per-Component Results")
+        data = {
+            "Component": selected_components,
+            "K-value": Ki,
+            "Liquid Fugacity": f_liq,
+            "Vapor Fugacity": f_vap,
+            "Liquid component xi": xi,
+            "Vapor component yi": yi,
+        }
+    
+        # Create DataFrame and display it in Streamlit
+        import pandas as pd
+        df = pd.DataFrame(data)
+        st.table(df)
+    else:
+        st.info("Please ensure that the sum of the concentrations equals one.")
 else:
-    st.info("Please select at least one component to calculate.")
+    st.info("Please select at least two component to calculate.")