Added some caching

BattMoTeam · Jun 14, 2024 · d337428 · d337428
1 parent 81aa567
commit d337428
Show file tree

Hide file tree

Showing 9 changed files with 86 additions and 43 deletions.
diff --git a/streamlit/app_scripts/app_access.py b/streamlit/app_scripts/app_access.py
@@ -216,12 +216,13 @@ def get_all_parameter_sets_meta_data_files_path():
 ## CONNECTIONS ##
 #################
 
-
+@st.cache_resource
 def get_sqlite_con_and_cur():
     database = get_path_to_database()
     con = sqlite3.connect(database, check_same_thread=False)
     return con, con.cursor()
 
+@st.cache_resource
 def get_sqlite_con_and_cur_thread_safe():
     database = get_path_to_database()
     con = sqlite3.connect(database, check_same_thread=False)

diff --git a/streamlit/app_scripts/app_calculations.py b/streamlit/app_scripts/app_calculations.py
@@ -16,7 +16,7 @@
 ##############################
 from app_scripts import app_access
 
-@st.cache_data
+
 def validate_mass_fraction(mf_sum,category_display_name,_tab):
     mf_summing = 0
     for id, value in mf_sum.items():

diff --git a/streamlit/app_scripts/app_view.py b/streamlit/app_scripts/app_view.py
@@ -20,6 +20,8 @@
 import ast
 import pandas as pd
 import random
+import re
+import math
 
 
 sys.path.insert(0, os.path.dirname(os.path.dirname(os.path.abspath(__file__))))
@@ -331,21 +333,21 @@ def __init__(self):
                         # "bkb": "https://w3id.org/emmo/domain/battery_knowledge_base#",
                         # "qudt": "http://qudt.org/vocab/unit/",
                     }
-
-    def setup_linked_data_dict(self, model_id, model_name):
+    @st.cache_data
+    def setup_linked_data_dict(_self, model_id, model_name):
 
         model_label = "{} model".format(model_name)
         id = ""
         model_type = "battery:{}Model".format(model_name)
 
         dict = {
-            "@context": self.context,
+            "@context": _self.context,
 
-            self.universe_label:{
-                self.hasModel:{
+            _self.universe_label:{
+                _self.hasModel:{
                     "label": model_label,
                     "@type": model_type,
-                    self.hasQuantitativeProperty: db_helper.get_model_parameters_as_dict(model_name)
+                    _self.hasQuantitativeProperty: db_helper.get_model_parameters_as_dict(model_name)
                 }
             }
         }
@@ -367,19 +369,20 @@ def setup_linked_data_dict(self, model_id, model_name):
 
         return dict
 
-    def fill_sub_dict(self,dict,relation_dict_1, parameters,existence,relation_dict_2 = None,relation_par=None):
+    @st.cache_data
+    def fill_sub_dict(_self,dict,relation_dict_1, parameters,existence,relation_dict_2 = None,relation_par=None):
         parameters = parameters.copy()
-        if self.universe_label in dict:
+        if _self.universe_label in dict:
             if relation_par:
                 if existence == "new":
-                    dict[self.universe_label][relation_dict_1] = parameters[relation_par]
+                    dict[_self.universe_label][relation_dict_1] = parameters[relation_par]
                 elif existence == "existing":
-                    dict[self.universe_label][relation_dict_1] += parameters[relation_par]
+                    dict[_self.universe_label][relation_dict_1] += parameters[relation_par]
             else:
                 if existence == "new":
-                    dict[self.universe_label][relation_dict_1] = parameters
+                    dict[_self.universe_label][relation_dict_1] = parameters
                 elif existence == "existing":
-                    dict[self.universe_label][relation_dict_1] += parameters
+                    dict[_self.universe_label][relation_dict_1] += parameters
         else:
             if relation_par:
                 if existence == "new":
@@ -425,11 +428,12 @@ def setup_sub_dict(_self,dict=None,display_name=None, context_type=None, type=No
 
         return dict
 
-    def fill_linked_data_dict(self, user_input, content):
-        user_input[self.universe_label][self.hasCell] = content
+    @st.cache_data
+    def fill_linked_data_dict(_self, user_input, content):
+        user_input[_self.universe_label][_self.hasCell] = content
 
         return user_input
-
+    
     def setup_parameter_struct(self, parameter,component_parameters=None, value = None):
         if component_parameters is None:
             component_parameters = []
@@ -581,9 +585,10 @@ def fill_component_dict(_self,component_parameters,existence, dict = None, relat
 
         return dict
 
-    def change_numerical_value(self,dict, index, value):
+    @st.cache_data
+    def change_numerical_value(_self,dict, index, value):
         try:
-            dict[index]["value"][self.hasNumericalData]=value
+            dict[index]["value"][_self.hasNumericalData]=value
         except:
             dict[index]["value"]=value
 
@@ -1045,7 +1050,7 @@ def calc_indicators(_self,user_input):
     def fill_category(self, category_id, category_display_name,category_name, emmo_relation, default_template_id, tab, category_parameters,mass_loadings,uploaded_input = None, selected_am_value_id=None):
 
         density_mix = None
-
+        
         # get components associated with material parameter sets
         if category_name == "boundary_conditions":
             material_components = None
@@ -1124,6 +1129,7 @@ def fill_category(self, category_id, category_display_name,category_name, emmo_r
                 component_parameters = {}
                 parameter, user_input, component_parameters_, emmo_relation, mass_fraction_id_dict = self.fill_mass_fraction_column(mass_fraction_col,category_id,material_comp_default_template_id,material_component_id,component_parameters_,mass_fraction_id_dict)
 
+
                 if parameter:
                     component_parameters_ = self.LD.fill_component_dict(component_parameters_, "new")
                     component_parameters = self.LD.setup_sub_dict(dict=component_parameters,display_name=material_comp_display_name,context_type=material_comp_context_type)
@@ -1136,6 +1142,9 @@ def fill_category(self, category_id, category_display_name,category_name, emmo_r
             mass_fraction_id_dict = None
             density = None
 
+        if mass_fraction_id_dict:
+                    self.validate_mass_fraction(mass_fraction_id_dict, category_display_name,tab)
+
         non_material_component = db_helper.get_non_material_components_from_category_id(category_id)
 
         non_material_component_id, non_material_component_name, _,_,_,_,non_material_comp_display_name,_,_,_,non_material_comp_default_template_id,non_material_comp_context_type,non_material_comp_context_type_iri,_ = non_material_component
@@ -1647,7 +1656,6 @@ def fill_non_material_components(self,density,category_display_name,category_par
             ac += 1
 
         if mass_fraction_id_dict:
-            self.validate_mass_fraction(mass_fraction_id_dict, category_display_name,tab)
 
             density_mix = self.calc_density_mix(mass_fraction_id_dict, density)
             density_eff = self.calc_density_eff(density_mix, porosity)
@@ -5705,6 +5713,40 @@ def set_material_description(self):
                                         else:
                                             st.latex(sp.latex(sp.sympify(string_py)))
 
+                                            # updated_string = string_py.replace("c/cmax", "x")
+                                            # def parsed_function(x):
+                                            #     # Define a dictionary to store allowed functions and their mappings
+                                            #     allowed_functions = {
+                                            #         "exp": math.exp,
+                                            #         "tanh": math.tanh,
+                                            #         # Add more functions as needed
+                                            #     }
+
+                                            #     # Regular expression pattern to find function calls
+                                            #     pattern = r"([a-zA-Z_][a-zA-Z0-9_]*)\("  # Matches function names
+
+                                            #     # Replace function calls with their respective mappings
+                                            #     safe_equation_string = re.sub(pattern, lambda match: f"allowed_functions['{match.group(1)}'](", updated_string)
+
+                                            #     # Evaluate the modified equation string with x
+                                            #     return eval(safe_equation_string, {"allowed_functions": allowed_functions, "x": x})
+
+                                            # x = np.linspace(0,1,100)
+                                            # y = np.zeros(len(x))
+                                            # for i in range(len(x)):
+                                            #     y[i] = parsed_function(x[i])
+
+                                            # fig = go.Figure(data=go.Scatter(x=x, y=y, mode='lines', name='Sample Line'))
+
+                                            # # Add titles and labels
+                                            # fig.update_layout(
+                                            #     title='Simple Line Graph',
+                                            #     xaxis_title='X Axis',
+                                            #     yaxis_title='Y Axis'
+                                            # )
+
+                                            # st.plotly_chart(fig, use_container_width=True)
+
                                 else:
                                     st.markdown('''```<Julia>
                                                 {}'''.format(value_dict["functionname"]))

diff --git a/streamlit/database/db_BaseHandler.py b/streamlit/database/db_BaseHandler.py
@@ -77,11 +77,11 @@ def thread_safe_db_access(_self,query, params = None, fetch = None):
                 raise
 
             finally:
-                if cur:
-                    cur.close()
+                # if cur:
+                    # cur.close()
                 if con:
                     con.commit()
-                    con.close()
+
 
 
 

diff --git a/streamlit/input_files/battmo_formatted_input.json b/streamlit/input_files/battmo_formatted_input.json
@@ -7,7 +7,7 @@
       "Coating": {
          "thickness": 8.499999999999999e-05,
          "N": 20,
-         "effectiveDensity": 1770.4,
+         "effectiveDensity": 1726.14,
          "bruggemanCoefficient": 1.5,
          "ActiveMaterial": {
             "massFraction": 0.9,
@@ -36,9 +36,9 @@
             },
             "diffusionModelType": "full",
             "SolidDiffusion": {
-               "activationEnergyOfDiffusion": 80000.0,
+               "activationEnergyOfDiffusion": 70000.0,
                "referenceDiffusionCoefficient": 3.9e-14,
-               "particleRadius": 1e-06,
+               "particleRadius": 5e-07,
                "N": 10
             }
          },
@@ -170,7 +170,7 @@
    "Control": {
       "controlPolicy": "CCCV",
       "initialControl": "charging",
-      "numberOfCycles": 1,
+      "numberOfCycles": 3,
       "CRate": 1.0,
       "DRate": 1.0,
       "lowerCutoffVoltage": 2.4,

diff --git a/streamlit/input_files/linked_data_input.json b/streamlit/input_files/linked_data_input.json
@@ -1929,7 +1929,7 @@
                         "@type": "emmo:Energy",
                         "value": {
                            "@type": "emmo:Numerical",
-                           "hasNumericalData": 80000.0
+                           "hasNumericalData": 70000.0
                         },
                         "unit": {
                            "label": "JoulePerMole",
@@ -1955,7 +1955,7 @@
                         "@type": "emmo:Radius",
                         "value": {
                            "@type": "emmo:Numerical",
-                           "hasNumericalData": 1e-06
+                           "hasNumericalData": 5e-07
                         },
                         "unit": {
                            "label": "Metre",
@@ -2337,7 +2337,7 @@
                         "@type": "emmo:Porosity",
                         "value": {
                            "@type": "emmo:Numerical",
-                           "hasNumericalData": 0.2
+                           "hasNumericalData": 0.22000000000000003
                         },
                         "unit": {
                            "label": "UnitOne",
@@ -2350,7 +2350,7 @@
                         "@type": "emmo:MassLoading",
                         "value": {
                            "@type": "emmo:Numerical",
-                           "hasNumericalData": 15.0484
+                           "hasNumericalData": 14.67219
                         },
                         "unit": {
                            "label": "MiliGramPerCubicCentiMeter",
@@ -2402,7 +2402,7 @@
                         "@type": "emmo:Capacity",
                         "value": {
                            "@type": "emmo:Numerical",
-                           "hasNumericalData": 1120.5836528712066
+                           "hasNumericalData": 1092.5690615494264
                         },
                         "unit": {
                            "label": "MiliAmpereHour",
@@ -6233,7 +6233,7 @@
                   "@type": "emmo:N/PRatio",
                   "value": {
                      "@type": "emmo:Numerical",
-                     "hasNumericalData": 1.07
+                     "hasNumericalData": 1.04
                   },
                   "unit": {
                      "label": "UnitOne",
@@ -6246,7 +6246,7 @@
                   "@type": "emmo:CellMass",
                   "value": {
                      "@type": "emmo:Numerical",
-                     "hasNumericalData": 31.7796972032
+                     "hasNumericalData": 31.6742860172
                   },
                   "unit": {
                      "label": "Gram",
@@ -6357,7 +6357,7 @@
                   "@type": "emmo:NumberOfEntities",
                   "value": {
                      "@type": "emmo:Numerical",
-                     "hasNumericalData": 1
+                     "hasNumericalData": 3
                   },
                   "unit": {
                      "label": "UnitOne",

diff --git a/streamlit/output_files/battmo_results.hdf5 b/streamlit/output_files/battmo_results.hdf5
diff --git a/streamlit/output_files/calculated_values.json b/streamlit/output_files/calculated_values.json
@@ -1,11 +1,11 @@
 {
    "calculatedParameters": {
       "effective_density": {
-         "negative_electrode": 1770.4,
+         "negative_electrode": 1726.14,
          "positive_electrode": 3151.12
       },
       "mass_loadings": {
-         "negative_electrode": 15.0484,
+         "negative_electrode": 14.67219,
          "positive_electrode": 23.948511999999994
       }
    }

diff --git a/streamlit/output_files/indicator_values.json b/streamlit/output_files/indicator_values.json
@@ -1,7 +1,7 @@
 {
    "Cell": {
       "cellMass": {
-         "value": 31.7796972032,
+         "value": 31.6742860172,
          "unit": "g"
       },
       "roundTripEfficiency": {
@@ -12,25 +12,25 @@
          "unit": "mAh"
       },
       "NPRatio": {
-         "value": 1.07,
+         "value": 1.04,
          "unit": "1"
       }
    },
    "NegativeElectrode": {
       "massLoading": {
-         "value": 15.0484,
+         "value": 14.67219,
          "unit": "mg\u00b7cm\u207b\u00b2"
       },
       "thickness": {
          "value": 85.0,
          "unit": "\u03bcm"
       },
       "porosity": {
-         "value": 0.2,
+         "value": 0.22000000000000003,
          "unit": "1"
       },
       "specificCapacity": {
-         "value": 1120.5836528712066,
+         "value": 1092.5690615494264,
          "unit": "mAh"
       },
       "ActiveMaterial": {