From 4520ee9e476b1945d38a77169ee05a20261c6d76 Mon Sep 17 00:00:00 2001
From: Jas Kalayan <jkalayan@gmail.com>
Date: Tue, 15 Sep 2026 11:05:36 +0100
Subject: [PATCH] update molecular formula pattern to include dashes in the
 formula e.g. for C40H46N20O18P3-3

---
 biosim_schema/schema/components/biosim_composition.yaml | 3 ++-
 project/linkml/jsonschema/biosim_schema.schema.json     | 2 +-
 2 files changed, 3 insertions(+), 2 deletions(-)

diff --git a/biosim_schema/schema/components/biosim_composition.yaml b/biosim_schema/schema/components/biosim_composition.yaml
index 0323fb8..b19f7d1 100644
--- a/biosim_schema/schema/components/biosim_composition.yaml
+++ b/biosim_schema/schema/components/biosim_composition.yaml
@@ -371,10 +371,11 @@ slots:
   molecular_formula:
     description:
       The molecular formula of a molecule\
-    pattern: "^([A-Z][a-z]?\\d*)+([+-]|\\d+[+-])?$"
+    pattern: "^([A-Z][a-z]?\\d*)+([+-]\\d*|\\d+[+-])?$"
     examples:
       - value: "C8H10N4O2"
       - value: "C10H16N+"
+      - value: "C40H46N20O18P3-3"
     range: string
     annotations:
       engine_mapping:
diff --git a/project/linkml/jsonschema/biosim_schema.schema.json b/project/linkml/jsonschema/biosim_schema.schema.json
index 4d85eac..2797888 100644
--- a/project/linkml/jsonschema/biosim_schema.schema.json
+++ b/project/linkml/jsonschema/biosim_schema.schema.json
@@ -1344,7 +1344,7 @@
                 },
                 "molecular_formula": {
                     "description": "The molecular formula of a molecule\\",
-                    "pattern": "^([A-Z][a-z]?\\d*)+([+-]|\\d+[+-])?$",
+                    "pattern": "^([A-Z][a-z]?\\d*)+([+-]\\d*|\\d+[+-])?$",
                     "type": [
                         "string",
                         "null"