Enum QMError 

pub enum QMError {
    Io(Error),
    Calculation(String),
    Parse(String),
}

Error type for QM interface operations.

QM calculations can fail at three stages:

1. I/O: File operations (reading/writing input/output files)
2. Calculation: Program execution (segfaults, convergence failures, etc.)
3. Parsing: Output file interpretation (malformed data, unexpected format)

Variants

Io(Error)

File system or I/O operation failed

Calculation(String)

Quantum chemistry program execution failed

Parse(String)

Failed to parse program output

Trait Implementations

impl Debug for QMError

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

Formats the value using the given formatter.

impl Display for QMError

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

Formats the value using the given formatter.

impl Error for QMError

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<Error> for QMError

fn from(source: Error) -> Self

Converts to this type from the input type.