Enum MolRsError 

pub enum MolRsError {
    Block(BlockError),
    Io(Error),
    Parse {
        line: Option<usize>,
        message: String,
    },
    Validation {
        message: String,
    },
    NotFound {
        entity: &'static str,
        message: String,
    },
    Other(String),
}

Main error type for the molrs library.

Variants

Block(BlockError)

Error from Block operations

Io(Error)

IO error (file reading/writing)

Parse

Parse error with context

Fields

line: Option<usize>

Line number where error occurred (if applicable)

message: String

Error message

Validation

Validation error

Fields

message: String

Error message

NotFound

Entity not found (atom, bond, angle, dihedral)

Fields

entity: &'static str

Kind of entity (“atom”, “bond”, “angle”, “dihedral”)

message: String

Human-readable message

Other(String)

Generic error with message

Implementations

impl MolRsError

pub fn parse_error(line: usize, message: impl Into<String>) -> Self

Create a parse error with line number

pub fn parse(message: impl Into<String>) -> Self

Create a parse error without line number

pub fn validation(message: impl Into<String>) -> Self

Create a validation error

pub fn not_found(entity: &'static str, message: impl Into<String>) -> Self

Create a not-found error

Trait Implementations

impl Debug for MolRsError

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

Formats the value using the given formatter.

impl Display for MolRsError

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

Formats the value using the given formatter.

impl Error for MolRsError

fn source(&self) -> Option<&(dyn Error + 'static)>

Returns the lower-level source of this error, if any.

fn description(&self) -> &str

👎Deprecated since 1.42.0:

use the Display impl or to_string()

fn cause(&self) -> Option<&dyn Error>

👎Deprecated since 1.33.0:

replaced by Error::source, which can support downcasting

fn provide<'a>(&'a self, request: &mut Request<'a>)

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

Provides type-based access to context intended for error reports.

impl From<&str> for MolRsError

fn from(msg: &str) -> Self

Converts to this type from the input type.

impl From<BlockError> for MolRsError

fn from(err: BlockError) -> Self

Converts to this type from the input type.

impl From<Error> for MolRsError

fn from(err: Error) -> Self

Converts to this type from the input type.

impl From<MolRsError> for ComputeError

fn from(err: MolRsError) -> Self

Converts to this type from the input type.

impl From<SmilesError> for MolRsError

fn from(e: SmilesError) -> Self

Converts to this type from the input type.

impl From<String> for MolRsError

fn from(msg: String) -> Self

Converts to this type from the input type.