Trait bader::io::FileFormat

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pub trait FileFormat {
    // Required methods
    fn read(&self, filename: String) -> ReadFunction;
    fn to_atoms(&self, atom_text: String) -> Atoms;
    fn write(
        &self,
        atoms: &Atoms,
        data: Vec<Option<f64>>,
        filename: String,
        visible_pbar: bool
    ) -> Result<()>;
    fn coordinate_format(&self, coords: [f64; 3]) -> (String, String, String);

    // Provided method
    fn init(
        &self,
        args: &Args
    ) -> (Vec<Vec<f64>>, Vec<f64>, Atoms, [usize; 3], [f64; 3]) { ... }
}

Expand description

FileFormat trait. Used for handling input from a file.

Required Methods§

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fn read(&self, filename: String) -> ReadFunction

Reads the file into a ReadFunction containing the information needed from the file to build a Grid.

filename: The name of the file to read.

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fn to_atoms(&self, atom_text: String) -> Atoms

Reads the non-density section of the file into an Atoms object.

atom_text: The full string of non-density information from the density file.

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fn write( &self, atoms: &Atoms, data: Vec<Option<f64>>, filename: String, visible_pbar: bool ) -> Result<()>

Writes a specific density, data, to tile in the correct format.

atoms: The associated &Atoms object for the density file.
data: The density to write to file wrapped in options with None representing 0.
filename: Where to save the file, minus any suffix as this should be applied in the function.
pbar: A progress bar for monitoring the write.

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