Update app.py

app.py

@@ -306,17 +306,23 @@ def first_node(state: State) -> State:
         query_reference = None
       state["query_reference"] = query_reference
 
-  prompt = f'You are given a QUERY_TASK below and a set of available tools. Your job is to determine which tool(S) \
-if any can accomplish the QUERY_TASK.\n\n  Choose only from the tool names listed below.\n If exactly one tool can preform the task, reply with the tool name followed by "#".\n If two toold are required together, reply with both tool names separated by a comma, in a single line followed by a "#".\n   If none of the tools can perform the task, reply with "None #".\n Reply with ONLY the tool names followed by "#". Tools:\n \
-lipinski_tool: Calculates the following moelcular properties: Quantitative \
-Estimate of Drug-likeness (QED), Molecular weight, LogP (measures lipophilicity, higher is more lipophilic), \
-HBA, HBD, Polar Surface Area, number of rotatable bonds, number of aromatic rings and Undesireable Moieties. \n \
-substitution_tool: Generates structural analogues of the molecule by substituting \
-different chemical groups on the original molecule. Outputs novel molecules and their \
-QED score (1 is most drug-like, 0 is least drug-like). \n \
-pharm_feature_tool: this tool can compares the pharmacophore features of a query molecule against \
-a reference molecule. Rreporting the shared pharmacophore features and similarity feature score. \
-Does not report features unique to either moelcule.'
+  prompt = f'You are given a QUERY_TASK given below and a set of available tools. \
+  Your job is to determine which tool(S) if any can accomplish the QUERY_TASK.\n\n \
+  Choose only from the tool names listed below.\n \
+  If exactly one tool can preform the task, reply with the tool name followed by "#".\n \
+  If two toold are required together, reply with both tool names separated by a comma, \
+  in a single line followed by a "#".\n \
+  If none of the tools can perform the task, reply with "None #".\n \
+  Reply with ONLY the tool names followed by "#". Tools:\n \
+  lipinski_tool: Calculates the following moelcular properties: Quantitative \
+  Estimate of Drug-likeness (QED), Molecular weight, LogP (measures lipophilicity, higher is more lipophilic), \
+  HBA, HBD, Polar Surface Area, number of rotatable bonds, number of aromatic rings and Undesireable Moieties. \n \
+  substitution_tool: Generates structural analogues of the molecule by substituting \
+  different chemical groups on the original molecule. Outputs novel molecules and their \
+  QED score (1 is most drug-like, 0 is least drug-like). \n \
+  pharm_feature_tool: this tool compares the pharmacophore features of a query molecule against \
+  a reference molecule. Rreporting the shared pharmacophore features and similarity feature score. \
+  Does not report features unique to either moelcule.' 
 
   res = chat_model.invoke(prompt)
 
@@ -364,11 +370,13 @@ def parser_node(state: State) -> State:
   props_string = state["props_string"]
   query_task = state["query_task"]
 
-  prompt = f'Using only the information provided in the CONTEXT below, answer the QUERY_TASK.\n \
-Your answer must:\n Directly address the QUERY_TASK.\n Use only facts found in the CONTEXT \
-(do not invent information).\n Be concise, precise and logically consistent.\n End your answer with a "#" \
-QUERY_TASK: {query_task}.\n \
-CONTEXT: {props_string}.\n '
+  prompt = f'Using only the information provided in the CONTEXT below, \
+  answer the QUERY_TASK.\n \
+  Your answer must:\n Directly address the QUERY_TASK.\n \
+  Use only facts found in the CONTEXT (do not invent information).\n \
+  Be concise, precise and logically consistent.\n End your answer with a "#" \
+  QUERY_TASK: {query_task}.\n \
+  CONTEXT: {props_string}.\n '
 
   res = chat_model.invoke(prompt)
   return {"messages": res}
@@ -384,11 +392,19 @@ def reflect_node(state: State) -> State:
   previous_answer = state["messages"][-1].content
   props_string = state["props_string"]
 
-  prompt = f'You will revise the PREVIOUS ANSWER below which you provided and the \
-INSTRUCTIONS:\n Retain all correct information from the PREVIOUS ANSWER.\n Incorporate only relevent information from the TOOL RESULTS.\n Add clarifying or enriching details.\n Do NOT invent or assume any information that is not present in the input.\n Improve clarity, precision, factual accuracy, and organisation.\n Provide sinle,concise, well-structured improved asnwer.\n End \
-your new answer with a "#" \
-PREVIOUS ANSWER: {previous_answer}.\n \
-TOOL RESULTS: {props_string}. '
+  prompt = f'You will revise the PREVIOUS ANSWER below using the tools results \
+  which you provided below  \
+  INSTRUCTIONS:\n \
+  Retain all correct information from the PREVIOUS ANSWER. \
+  Incorporate only relevent information from the TOOL RESULTS. \
+  Add clarifying or enriching details. \
+  Do NOT invent or assume any information that is not present in the input. \
+  Improve clarity, precision, factual accuracy, and organisation. \
+  Provide a well-structured improved asnwer. \
+  End \
+  your new answer with a "#" \
+  PREVIOUS ANSWER: {previous_answer}.\n \
+  TOOL RESULTS: {props_string}. '
 
   res = chat_model.invoke(prompt)
   return {"messages": res}