import { getMoleculesFromStore } from "@/Store/StoreExternalAccess"; import { selectInstructionsLong } from "@/UI/Navigation/TitleBar/MolSelecting"; import { SelectedType, TreeNodeType, } from "@/UI/Navigation/TreeView/TreeInterfaces"; import { TreeNodeList } from "@/TreeNodes/TreeNodeList/TreeNodeList"; import type { TreeNode } from "@/TreeNodes/TreeNode/TreeNode"; /** * Checks whether the user has selected any molecule. * * @param {TreeNodeList} [treeNodeList] The molecule containers to consider. * Ultimately defaults to all molecules if * not specified. * @param {string} noun The noun to use in the error message. * @returns {string | null} An error if the user hasn't selected any molecules, * null otherwise. */ export function checkAnyMolSelected( treeNodeList?: TreeNodeList, noun = "molecule" ): string | null { const num = _numSelected(treeNodeList); if (num === 0) { return `No ${noun}s are currently selected. First select a ${noun} by clicking on its name in the Navigator panel.`; } return null; } /** * Checks whether the user has selected any compound. * * @param {TreeNodeList} [treeNodeList] The molecule containers to consider. * Ultimately defaults to all molecules * if not specified. * @returns {string | null} An error if the user hasn't selected any proteins, * null otherwise. */ export function checkAnyCompoundSelected( treeNodeList?: TreeNodeList ): string | null { if (treeNodeList === undefined) { treeNodeList = getMoleculesFromStore(); } const compounds = treeNodeList.flattened.filters.keepType( TreeNodeType.Compound ); const selectedCompounds = compounds.filters.keepSelected(true); if (selectedCompounds.length === 0) { return "No compounds are currently selected. First select a compound by clicking on its name in the Navigator panel."; } return null; } /** * Checks whether the user has selected one and only one molecule. * * @param {TreeNodeList} [treeNodeList] The molecule containers to consider. * Ultimately defaults to all molecules if * not specified. * @returns {string | null} An error if the user hasn't selected any molecules, * null otherwise. */ export function checkOneMolSelected( treeNodeList?: TreeNodeList ): string | null { const num = _numSelected(treeNodeList); if (num !== 1) { return "First select one (and only one) molecule by clicking on its name in the Navigator panel."; } return null; } /** * Checks whether the user has selected multiple molecules (> 1). * * @param {TreeNodeList} [treeNodeList] The molecule containers to * consider. Ultimately defaults to * all molecules if not specified. * @returns {string | null} An error if the user hasn't selected multiple * molecules, null otherwise. */ export function checkMultipleMolsSelected( treeNodeList?: TreeNodeList ): string | null { const num = _numSelected(treeNodeList); if (num < 2) { return `First select at least two molecules by clicking on their names in the Navigator panel. ${selectInstructionsLong}`; // Click while holding down the Control, Command (Mac), and/or Shift keys to select multiple molecules."; } return null; } /** * Gets the number of molecules selected. * * @param {TreeNodeList} [treeNodeList] The molecule containers to * consider. Ultimately defaults to * all molecules if not specified. * @returns {number} The number of molecules selected. */ function _numSelected(treeNodeList?: TreeNodeList): number { if (treeNodeList === undefined) { treeNodeList = getMoleculesFromStore(); } // Check if user has selected anything const selectedNodes = ( treeNodeList as TreeNodeList ).flattened.filters.keepSelected(SelectedType.True); return selectedNodes.length; } /** * Checks whether the user has loaded any molecule. * * @param {TreeNodeList} [treeNodeList] The molecule containers to * consider. Ultimately defaults to * all molecules if not specified. * @returns {string | null} An error if the user hasn't selected any molecules, * null otherwise. */ export function checkAnyMolLoaded(treeNodeList?: TreeNodeList): string | null { if (treeNodeList === undefined) { treeNodeList = getMoleculesFromStore(); } if ((treeNodeList as TreeNodeList).length === 0) { return "No molecules are currently loaded (empty project). Try adding molecules first."; } return null; } /** * Checks whether the user has loaded any molecule of the given type. * * @param {TreeNodeType} type The type of molecule to check for. * @param {TreeNodeList} [treeNodeList] The molecule containers to consider. * Ultimately defaults to all molecules * if not specified. * @returns {string | null} An error if the user hasn't selected any molecules, * null otherwise. */ function _checkTypeLoaded( type: TreeNodeType, treeNodeList?: TreeNodeList ): string | null { if (treeNodeList === undefined) { treeNodeList = getMoleculesFromStore(); } const entries = treeNodeList.flattened.filters.keepType(type); if (entries.length === 0) { return `No ${type} is currently loaded. Try adding a ${type} first.`; } return null; } /** * Checks whether the user has loaded any protein. * * @param {TreeNodeList} [treeNodeList] The molecule containers to consider. * Ultimately defaults to all molecules * if not specified. * @returns {string | null} An error if the user hasn't selected any molecules, * null otherwise. */ export function checkProteinLoaded(treeNodeList?: TreeNodeList): string | null { return _checkTypeLoaded(TreeNodeType.Protein, treeNodeList); } /** * Checks whether the user has loaded any protein or nucleic acid. * * @param {TreeNodeList} [treeNodeList] The molecule containers to consider. * Ultimately defaults to all molecules * if not specified. * @returns {string | null} An error if the user hasn't selected any molecules, * null otherwise. */ export function checkProteinOrNucleicLoaded( treeNodeList?: TreeNodeList ): string | null { if (treeNodeList === undefined) { treeNodeList = getMoleculesFromStore(); } const proteins = treeNodeList.flattened.filters.keepType( TreeNodeType.Protein ); const nucleicAcids = treeNodeList.flattened.filters.keepType( TreeNodeType.Nucleic ); if (proteins.length === 0 && nucleicAcids.length === 0) { return "No protein or nucleic acid is currently loaded. Try adding a receptor first."; } return null; } /** * Checks whether the user has loaded any compound. * * @param {TreeNodeList} [treeNodeList] The molecule containers to consider. * Ultimately defaults to all molecules * if not specified. * @returns {string | null} An error if the user hasn't selected any molecules, * null otherwise. */ export function checkCompoundLoaded( treeNodeList?: TreeNodeList ): string | null { return _checkTypeLoaded(TreeNodeType.Compound, treeNodeList); } /** * Checks if at least two top-level molecules containing proteins are loaded. * A top-level molecule is considered to contain a protein if it or any of its * descendants has the type `TreeNodeType.Protein`. * * @param {TreeNodeList} [treeNodeList] The list of molecules to consider. * Defaults to all molecules from the store. * @returns {string | null} An error message if the condition is not met, otherwise null. */ export function checkMultipleTopLevelProteinsLoaded( treeNodeList?: TreeNodeList ): string | null { if (treeNodeList === undefined) { treeNodeList = getMoleculesFromStore(); } let proteinContainerCount = 0; // `treeNodeList` at the root is a list of top-level molecules. treeNodeList.forEach((topLevelNode: TreeNode) => { // For each top-level node, check if it or any of its descendants is a protein. const flattenedDescendants = new TreeNodeList([topLevelNode]).flattened; const hasProtein = flattenedDescendants.some( (node) => node.type === TreeNodeType.Protein ); if (hasProtein) { proteinContainerCount++; } }); if (proteinContainerCount < 2) { return "At least two molecules with protein components are required for alignment."; } return null; }