Enum GaussianError 

pub enum GaussianError {
    MissingChargeMultiplicity,
    NoAtoms,
    UnknownElement(String),
    InvalidCoordinate(String),
    NoStandardOrientation,
}

Errors that can occur when parsing Gaussian files.

Variants

MissingChargeMultiplicity

The charge/multiplicity line was missing or malformed.

NoAtoms

No atom coordinates were found in the file.

UnknownElement(String)

An element symbol or atomic number was not recognised.

InvalidCoordinate(String)

A coordinate value could not be parsed as a float.

NoStandardOrientation

The log file contained no Standard orientation: block.

Trait Implementations

impl Clone for GaussianError

fn clone(&self) -> GaussianError

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for GaussianError

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

Formats the value using the given formatter.

impl Display for GaussianError

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

Formats the value using the given formatter.

impl Error for GaussianError

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 PartialEq for GaussianError

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

Tests for self and other values to be equal, and is used by ==.

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

Tests for !=. The default implementation is almost always sufficient, and should not be overridden without very good reason.

impl StructuralPartialEq for GaussianError