Struct Code 

pub struct Code { /* private fields */ }

A stable diagnostic code, rendered as MOLFRAME-E1103 or MOLFRAME-W3011.

Examples

use molframe_core::Code;

assert_eq!(Code::E1103.to_string(), "MOLFRAME-E1103");
assert_eq!(Code::E1103.cause(), "loop_ row count is not a multiple of the column count");
assert!(!Code::E1103.remedy().is_empty());

Implementations

impl Code

pub const fn new(kind: Kind, number: u16) -> Self

Creates a code from its kind and number.

Prefer the associated constants; this exists so the registry can be declared as data.

pub const fn kind(self) -> Kind

Whether this code is an error or a warning.

pub const fn number(self) -> u16

The numeric part of the code.

pub const fn class(self) -> Class

The class this code belongs to, taken from its leading digit.

pub fn severity(self) -> Severity

The registered severity, or Severity::Breaking for a code that is not in the registry.

An unregistered code can only arise from a programming mistake, so the conservative reading is the right one.

pub fn cause(self) -> &'static str

What went wrong.

pub fn remedy(self) -> &'static str

What to do about it.

Every registered code has one. A diagnostic a user cannot act on is an incomplete diagnostic, so the remedy is part of the registry rather than something each call site is trusted to remember.

pub fn is_registered(self) -> bool

Returns true when this code is present in the registry.

pub fn registered() -> impl Iterator<Item = Self>

Every registered code, ordered by kind and then number.

impl Code

pub const E1001: Self

format could not be determined

pub const E1101: Self

unterminated quoted value

pub const E1102: Self

unterminated multi-line text field

pub const E1103: Self

loop_ row count is not a multiple of the column count

pub const E1104: Self

duplicate tag within a category

pub const E1105: Self

value outside any category

pub const E1106: Self

missing data_ block header

pub const E1201: Self

malformed fixed-column record

pub const E1202: Self

unparseable numeric field

pub const E1203: Self

atom serial exceeds format capacity and is not hybrid-36

pub const E1301: Self

substructure pattern is not valid SMARTS

pub const E1401: Self

declared length disagrees with the encoded payload

pub const E1402: Self

unknown column encoding

pub const E1403: Self

codec chain type mismatch

pub const E1901: Self

resource limit exceeded

pub const E1902: Self

source window exceeds the execution memory budget

pub const E1903: Self

source window cannot be represented on this host

pub const E1904: Self

execution cancelled

pub const E2001: Self

required category absent

pub const E2002: Self

required item absent

pub const E2003: Self

value outside the declared enumeration

pub const E2004: Self

value has the wrong type for its item

pub const E2005: Self

parent-child relationship violated

pub const E2101: Self

sequence, alphabet, tree or substitution data is invalid

pub const E2201: Self

reference table is malformed

pub const E3001: Self

column length disagrees with the chunk length

pub const E3002: Self

child range exceeds the child table

pub const E3003: Self

overlapping child ranges

pub const E3004: Self

atom belongs to no residue

pub const E3005: Self

chain references a nonexistent entity

pub const E3006: Self

bond endpoint out of range

pub const E3007: Self

self-bond

pub const E3008: Self

non-finite coordinate without a validity mark

pub const E3009: Self

occupancy outside the zero-to-one range

pub const E3010: Self

models share a coordinate set but not an atom count

pub const E3011: Self

custom annotation length disagrees with the atom count

pub const E3012: Self

structures cannot share one merged model axis

pub const E3013: Self

custom annotation types disagree across structures

pub const E3014: Self

domain extensions would be invalidated by a topology change

pub const E3015: Self

residue boundary is not defined by the deposited identifiers

pub const E3201: Self

bundled chemistry reference data is invalid

pub const E3401: Self

topology and coordinate atom counts disagree

pub const E4001: Self

selection syntax is invalid

pub const E4002: Self

selection value is incompatible with its column

pub const E4003: Self

selection requires data this structure does not carry

pub const E4004: Self

unknown selection keyword

pub const E4005: Self

named query is not defined

pub const E4006: Self

named query definitions refer to each other in a cycle

pub const E4007: Self

named query nesting is too deep

pub const E4101: Self

atom count exceeds legacy format capacity

pub const E4102: Self

chain identifier cannot be represented in the target format

pub const E4103: Self

residue number exceeds legacy format capacity

pub const E4104: Self

coordinate magnitude exceeds the target field width

pub const E4105: Self

the target format cannot express a required category

pub const E5001: Self

superposition is undefined for fewer than three non-collinear atoms

pub const E5002: Self

degenerate frame from collinear reference atoms

pub const E5003: Self

empty selection where atoms are required

pub const E5004: Self

periodic query without a unit cell

pub const E5005: Self

cutoff exceeds half the minimum box dimension under the minimum image convention

pub const E5101: Self

numeric parameter is not finite or lies outside its valid range

pub const E5102: Self

paired inputs do not correspond in length or shape

pub const E5103: Self

too few points or items for the computation

pub const E5104: Self

the configuration is degenerate or the numerical method did not converge

pub const E5105: Self

no valid correspondence or alignment could be established

pub const E6001: Self

unqualified identifier while the policy requires explicit namespaces

pub const E6002: Self

requested assembly does not exist

pub const E6003: Self

requested model does not exist

pub const E6004: Self

policy field combination is contradictory

pub const E6005: Self

verdict profile not found

pub const E6006: Self

requested chain does not exist

pub const E6007: Self

identifier is empty

pub const E6008: Self

a whole-ensemble coordinate edit requires shared topology

pub const E6009: Self

an atom selected for editing does not exist

pub const E6010: Self

assembly operator expression is malformed

pub const E6011: Self

assembly operator expression exceeds the instance limit

pub const E6012: Self

assembly category contains a malformed required value

pub const E6013: Self

assembly generator references an unknown definition

pub const E6014: Self

non-crystallographic symmetry operator is malformed

pub const E6015: Self

crystallographic symmetry metadata or algebraic operation is malformed

pub const E6016: Self

crystal neighbour search configuration is incomplete or invalid

pub const E6017: Self

crystal neighbour search exceeds its candidate-image limit

pub const E6018: Self

space-group setting is unknown or the bundled catalogue is invalid

pub const E6101: Self

workflow graph is invalid

pub const E6102: Self

execution context configuration is inconsistent

pub const E6103: Self

the requested operation is unsupported for this input or policy

pub const E6104: Self

a policy value is not in the vocabulary of its decision

pub const E7001: Self

operation exceeds the execution memory budget

pub const E7101: Self

input could not be read

pub const E7102: Self

no reference table is available for the computation

pub const E7103: Self

the reference table asked for conflicts with the one the policy names

pub const E7901: Self

output could not be written

pub const E9001: Self

internal invariant violated

pub const W1001: Self

trailing content after the final block

pub const W1002: Self

non-standard whitespace or line ending

pub const W1901: Self

further findings were suppressed

pub const W2001: Self

unknown category retained but not interpreted

pub const W2002: Self

unknown item retained but not interpreted

pub const W2003: Self

deprecated item used

pub const W3011: Self

residue boundary was inferred from file order by explicit policy

pub const W3012: Self

an alternate location carries a different component identity

pub const W3013: Self

connection partner lies on a symmetry image outside the asymmetric unit and was not lowered to a bond

pub const W3014: Self

occupancy outside the zero-to-one range was clamped by explicit policy

pub const W3015: Self

occupancies or B-factors differ between models of one ensemble; the first model’s values are kept

pub const W3016: Self

a connection record names an atom the file does not contain and was not lowered to a bond

pub const W3201: Self

component not found in any chemical component provider

pub const W3202: Self

observed atoms are inconsistent with the component definition; file connectivity was used

pub const W3203: Self

element inferred from the atom name

pub const W3204: Self

unusual valence

pub const W3205: Self

chirality was not assessed for a residue

pub const W3206: Self

the component definitions embedded in the file are malformed and were ignored

pub const W3207: Self

bonds were not perceived because the profile names no bond-reach table

pub const W3301: Self

atoms expected by the component definition are absent from the model

pub const W3302: Self

chain break detected within a polymer

pub const W4001: Self

unparenthesised mix of and and or

pub const W4002: Self

float equality comparison

pub const W4003: Self

selection symbol not present in this structure

pub const W4101: Self

metadata dropped by the target format

pub const W4102: Self

identifier rewritten to stay unambiguous in the target format

pub const W5001: Self

neighbour list rebuilt more often than expected

pub const W5002: Self

distance matrix requested for a large selection

pub const W6001: Self

per-atom highest occupancy may produce a conformation that was never modelled

pub const W6002: Self

assembly generated multiple instances of a chain

pub const W6003: Self

analysis returned an indeterminate result

pub const W6004: Self

a defaulted policy field materially affects this result

Trait Implementations

impl Clone for Code

fn clone(&self) -> Self

Returns a duplicate of the value.

fn clone_from(&mut self, source: &Self)

Performs copy-assignment from source.

impl Copy for Code

impl Debug for Code

fn fmt(&self, f: &mut Formatter<'_>) -> Result

Formats the value using the given formatter.

impl Display for Code

fn fmt(&self, f: &mut Formatter<'_>) -> Result

Formats the value using the given formatter.

impl Eq for Code

impl Hash for Code

fn hash<__H: Hasher>(&self, state: &mut __H)

Feeds this value into the given Hasher.

fn hash_slice<H>(data: &[Self], state: &mut H)

where H: Hasher, Self: Sized,

Feeds a slice of this type into the given Hasher.

impl Ord for Code

fn cmp(&self, other: &Self) -> Ordering

This method returns an Ordering between self and other.

fn max(self, other: Self) -> Self

where Self: Sized,

Compares and returns the maximum of two values.

fn min(self, other: Self) -> Self

where Self: Sized,

Compares and returns the minimum of two values.

fn clamp(self, min: Self, max: Self) -> Self

where Self: Sized,

Restrict a value to a certain interval.

fn clamp_to<R>(self, range: R) -> Self

where Self: Sized, R: ClampBounds<Self>,

🔬This is a nightly-only experimental API. (clamp_to)

Restrict a value to a certain range.

impl PartialEq for Code

fn eq(&self, other: &Self) -> bool

Equality operator ==.

fn ne(&self, other: &Rhs) -> bool

Inequality operator !=.

impl PartialOrd for Code

fn partial_cmp(&self, other: &Self) -> Option<Ordering>

This method returns an ordering between self and other values if one exists.

fn lt(&self, other: &Rhs) -> bool

Tests less than (for self and other) and is used by the < operator.

fn le(&self, other: &Rhs) -> bool

Tests less than or equal to (for self and other) and is used by the <= operator.

fn gt(&self, other: &Rhs) -> bool

Tests greater than (for self and other) and is used by the > operator.

fn ge(&self, other: &Rhs) -> bool

Tests greater than or equal to (for self and other) and is used by the >= operator.

impl StructuralPartialEq for Code