Enum Error 

pub enum Error {
    Io {
        path: Option<PathBuf>,
        source: Error,
    },
    Parse {
        format: &'static str,
        path: Option<PathBuf>,
        line_number: usize,
        details: String,
    },
    UnknownStandardResidue {
        name: String,
        path: Option<PathBuf>,
    },
    InconsistentData {
        format: &'static str,
        path: Option<PathBuf>,
        details: String,
    },
}

Errors that can occur while reading or writing biomolecular data.

The enum captures I/O failures, structured parser issues, unknown residues, and integrity mismatches so callers can inspect the variant and react accordingly.

Variants

Io

Wrapper around operating-system level I/O failures.

Includes both filesystem and stream sources, optionally carrying the file path for richer error messages.

Fields

path: Option<PathBuf>

Path to the file involved in the failed operation, if any.

source: Error

Underlying error emitted by the standard library.

Parse

Indicates that an input line could not be parsed into the expected record.

Exposes the textual format, source path, failing line number, and an explanatory detail string to assist with debugging malformed files.

Fields

format: &'static str

Name of the textual format (e.g., "PDB", "mmCIF").

path: Option<PathBuf>

Path to the offending file, if known.

line_number: usize

One-based line number where parsing failed.

details: String

Human-readable description of what went wrong.

UnknownStandardResidue

Raised when an atom record references a residue not present in template libraries.

Fields

name: String

path: Option<PathBuf>

InconsistentData

Reports logical inconsistencies such as mismatched atom counts or invalid records.

Fields

format: &'static str

Name of the textual format being processed.

path: Option<PathBuf>

Related file path when available.

details: String

Summary of the detected inconsistency.

Implementations

impl Error

pub fn from_io(source: Error, path: Option<PathBuf>) -> Self

Constructs an Error::Io variant from a standard I/O error.

Arguments

• source - The original std::io::Error emitted by the OS or runtime.
• path - Optional file path associated with the operation.

Returns

A ready-to-use Error that preserves the source error for chaining.

pub fn parse( format: &'static str, path: Option<PathBuf>, line_number: usize, details: impl Into<String>, ) -> Self

Builds a Error::Parse variant with consistent messaging.

Arguments

• format - Name of the textual format being parsed.
• path - Optional path pointing to the input file.
• line_number - Line where the failure occurred (1-indexed).
• details - Additional context about the parsing problem.

Returns

An Error::Parse carrying the supplied metadata.

pub fn unknown_standard_residue( name: impl Into<String>, path: Option<PathBuf>, ) -> Self

Generates an Error::UnknownStandardResidue for unresolved template names.

Arguments

• name - Residue identifier that failed to look up.
• path - Optional path to the source file.

Returns

An error variant signalling the missing residue definition.

pub fn inconsistent_data( format: &'static str, path: Option<PathBuf>, details: impl Into<String>, ) -> Self

Creates an Error::InconsistentData describing logical mismatches.

Arguments

• format - Name of the textual format being processed.
• path - Optional file path, if applicable.
• details - Explanation of the inconsistency.

Returns

An error variant pointing to structural or semantic discrepancies.

Trait Implementations

impl Debug for Error

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

Formats the value using the given formatter.

impl Display for Error

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

Formats the value using the given formatter.

impl Error for Error

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.