Struct ferritin_pymol::pymolparsing::parsing::CoordSet

pub struct CoordSet {
    pub n_index: i32,
    pub coord: Vec<f32>,
    pub idx_to_atm: Vec<i32>,
    pub atm_to_idx: Option<Vec<i32>>,
    pub name: String,
    pub setting: Vec<Option<bool>>,
    pub lab_pos: Option<bool>,
    pub sculpt_cgo: Option<(i32, Vec<f32>)>,
    pub atom_state_settings: Option<Vec<Option<i32>>>,
    pub symmetry: Option<Vec<(((i32, i32, i32), (i32, i32, i32)), String)>>,
    /* private fields */
}

Coord Set: Class for storage of coordinates

Links:

• pymol_coordset
• pymol_coordset_settings
• CGO
• symettry_settings

Fields

n_index: i32

coord: Vec<f32>

idx_to_atm: Vec<i32>

atm_to_idx: Option<Vec<i32>>

name: String

setting: Vec<Option<bool>>

lab_pos: Option<bool>

sculpt_cgo: Option<(i32, Vec<f32>)>

atom_state_settings: Option<Vec<Option<i32>>>

symmetry: Option<Vec<(((i32, i32, i32), (i32, i32, i32)), String)>>

Implementations

impl CoordSet

pub fn get_coords_as_vec(&self) -> Vec<[f32; 3]>

coords are stored in a 1D vector of x,y,z,x,y,x,z,x,y,z returns as a Vec<[x,y,z]>

Trait Implementations

impl Debug for CoordSet

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

Formats the value using the given formatter.

impl<'de> Deserialize<'de> for CoordSet

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

where __D: Deserializer<'de>,

Deserialize this value from the given Serde deserializer.

impl Serialize for CoordSet

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

where __S: Serializer,

Serialize this value into the given Serde serializer.