Macros§
- __
vec3_ angstrom - lattice_
angstrom - Create a
Latticeusing vectors expressed in Ångström units.
Structs§
- Angstrom
- notes:
Operation safety is guranteed by the type.
Use Angstrom as the major internal and default API unit to be consistent with xx/xx.
Internally use
FracCoordto represent the position to make sure fractional coords don’t change if lattice changes shape or scale. - Atom
- Atoms
NotSet - Atoms
Set - Bohr
- Crystal
- Crystal
Builder - use builder pattern so the validation is runtime
To make it a compile time check, I can use the proc macro (
build/build_unchcekAPI). - Crystal
Validate Error - Lattice
- Lattice inner data structure of the struct are private.
- Lattice
NotSet - Lattice
Set