diff --git a/src/mol-model/structure/export/categories/secondary-structure.ts b/src/mol-model/structure/export/categories/secondary-structure.ts index 35936e1652cc3da117ebabbe1a95d0b855f06662..7d051ddc55de482ad13f93e8b065cafb81eb9baf 100644 --- a/src/mol-model/structure/export/categories/secondary-structure.ts +++ b/src/mol-model/structure/export/categories/secondary-structure.ts @@ -25,7 +25,7 @@ export function _struct_conf(ctx: CifExportContext): CifCategory { } export function _struct_sheet_range(ctx: CifExportContext): CifCategory { - const elements = findElements(ctx, 'sheet'); + const elements = (findElements(ctx, 'sheet') as SSElement<SecondaryStructure.Sheet>[]).sort(compare_ssr); return { data: elements, name: 'struct_sheet_range', @@ -34,6 +34,11 @@ export function _struct_sheet_range(ctx: CifExportContext): CifCategory { }; } +function compare_ssr(x: SSElement<SecondaryStructure.Sheet>, y: SSElement<SecondaryStructure.Sheet>) { + const a = x.element, b = y.element; + return a.sheet_id < b.sheet_id ? -1 : a.sheet_id === b.sheet_id ? x.start.element - y.start.element : 1 +}; + const struct_conf_fields: CifField[] = [ CifField.str<number, SSElement<SecondaryStructure.Helix>[]>('conf_type_id', (i, data) => data[i].element.type_id), CifField.str<number, SSElement<SecondaryStructure.Helix>[]>('conf_type_id', (i, data, idx) => `${data[i].element.type_id}${idx + 1}`),