Struct ForcesParser 

pub struct ForcesParser {
    pub pattern: String,
}

Configuration for parsing forces from custom QM program output.

Specifies the regular expression pattern to locate the force components (Fx, Fy, Fz) for each atom in the output file.

Fields

pattern: String

Regex pattern to find forces (should capture Fx, Fy, Fz for each atom)

Trait Implementations

impl Clone for ForcesParser

fn clone(&self) -> ForcesParser

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for ForcesParser

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

Formats the value using the given formatter.

impl<'de> Deserialize<'de> for ForcesParser

fn deserialize<__D>(__deserializer: __D) -> Result<Self, __D::Error>

where __D: Deserializer<'de>,

Deserialize this value from the given Serde deserializer.

impl Serialize for ForcesParser

fn serialize<__S>(&self, __serializer: __S) -> Result<__S::Ok, __S::Error>

where __S: Serializer,

Serialize this value into the given Serde serializer.