Expose stop_on_first_solution as a CLI flag (#100)

In #13, a `stop_on_first_solution` flag was added to the base search
algorithm class, but so far it was not available when using the search
CLI. As this option can be quite useful (for e.g. running a quick check
to assess the difficulty of a given set of targets), this PR adds it as
a CLI option as well.

CHANGELOG.md

@@ -10,6 +10,7 @@ and the project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0.
 ### Added
 
 - Reuse search results when given a partially filled directory ([#98](https://github.com/microsoft/syntheseus/pull/98)) ([@kmaziarz])
+- Expose `stop_on_first_solution` as a CLI flag ([#100](https://github.com/microsoft/syntheseus/pull/100)) ([@kmaziarz])
 
 ### Fixed
 

syntheseus/cli/search.py

@@ -123,6 +123,7 @@ class BaseSearchConfig:
     limit_iterations: int = 1_000_000
     limit_graph_nodes: int = INT_INF
     prevent_repeat_mol_in_trees: bool = True
+    stop_on_first_solution: bool = False
 
     use_gpu: bool = True  # Whether to use a GPU
     canonicalize_inventory: bool = False  # Whether to canonicalize the inventory SMILES
@@ -209,6 +210,7 @@ def run_from_config(config: SearchConfig) -> Path:
                 "limit_iterations",
                 "limit_graph_nodes",
                 "prevent_repeat_mol_in_trees",
+                "stop_on_first_solution",
             ]
         }
     )