Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Jump to bottom

Include ranges in typing for resi AtomSelectionSpec #728

Merged
merged 1 commit into from
Oct 15, 2023
Merged

Include ranges in typing for resi AtomSelectionSpec #728

Changes from all commits
Commits
Show all changes
1 commit
Select commit
File filter

Filter by extension

Filter by extension
Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
59 changes: 31 additions & 28 deletions src/specs.ts
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -75,7 +75,6 @@ export interface AtomSpec {
contextMenuEnabled?: boolean;
};


/**
* Atom selection object. Used to specify what atoms should be selected. Can include
* any field from {@link AtomSpec} in which case atoms must equal the specified value.
Expand All @@ -92,33 +91,35 @@ export interface AtomSpec {
* viewer.render();
* });
*/
export interface AtomSelectionSpec extends Omit<AtomSpec, "bonds"|"model"|"index"> {
/** a single model or list of models from which atoms should be selected. Can also specify by numerical creation order. Reverse indexing is allowed (-1 specifies last added model). */
model?: GLModel | number | GLModel[] | number[];
/** frame index of individual frame to style; will apply to all frames if not set */
frame?: number;
/** index of the atom or atoms to select */
index?: number | number[];
/** overloaded to select number of bonds, e.g. {bonds: 0} will select all nonbonded atoms */
bonds?: number;
/** user supplied function that gets passed an {@link AtomSpec} and should return true if the atom should be selected */
predicate?: (atom: AtomSpec) => boolean;
/** if set, inverts the meaning of the selection */
invert?: boolean;
/** if set, expands the selection to include all atoms of any residue that has any atom selected */
byres?: boolean;
/** expands the selection to include all atoms within a given distance from the selection */
expand?: number|string;
/** intersects the selection with the set of atoms within a given distance from another selection */
within?: WithinSelectionSpec;
/** take the intersection of the provided lists of {@link AtomSelectionSpec}s */
and?: AtomSelectionSpec[] & {__cached_results?: any};
/** take the union of the provided lists of {@link AtomSelectionSpec}s */
or?: AtomSelectionSpec[] & {__cached_results?: any};
/** take the inverse of the provided {@link AtomSelectionSpec} */
not?: AtomSelectionSpec;
contextMenuEnabled?: boolean;
};
export interface AtomSelectionSpec extends Omit<AtomSpec, "bonds"|"model"|"index"|"resi"> {
/** a single model or list of models from which atoms should be selected. Can also specify by numerical creation order. Reverse indexing is allowed (-1 specifies last added model). */
model?: GLModel | number | GLModel[] | number[];
/** frame index of individual frame to style; will apply to all frames if not set */
frame?: number;
/** index of the atom or atoms to select */
index?: number | number[];
/** overloaded to select number of bonds, e.g. {bonds: 0} will select all nonbonded atoms */
bonds?: number;
/** overloaded to allow ranges and lists of residues, e.g. {resi: "5-10"} or {resi: [5,10,32]} */
resi?: number | SelectionRange | (number | SelectionRange)[];
/** user supplied function that gets passed an {@link AtomSpec} and should return true if the atom should be selected */
predicate?: (atom: AtomSpec) => boolean;
/** if set, inverts the meaning of the selection */
invert?: boolean;
/** if set, expands the selection to include all atoms of any residue that has any atom selected */
byres?: boolean;
/** expands the selection to include all atoms within a given distance from the selection */
expand?: number|string;
/** intersects the selection with the set of atoms within a given distance from another selection */
within?: WithinSelectionSpec;
/** take the intersection of the provided lists of {@link AtomSelectionSpec}s */
and?: AtomSelectionSpec[] & {__cached_results?: any};
/** take the union of the provided lists of {@link AtomSelectionSpec}s */
or?: AtomSelectionSpec[] & {__cached_results?: any};
/** take the inverse of the provided {@link AtomSelectionSpec} */
not?: AtomSelectionSpec;
contextMenuEnabled?: boolean;
};



Expand All @@ -142,3 +143,5 @@ export interface WithinSelectionSpec {
/** the selection of atoms against which to measure the distance from the parent atom selection */
sel?: AtomSelectionSpec;
};

export type SelectionRange = `${number}-${number}`;
Loading