models
Q2MM internal data models.
Provides clean, format-agnostic representations for molecules and force fields. These decouple Q2MM's core algorithms from specific file formats (MM3 .fld, Tinker .prm, AMBER .frcmod, etc.).
This package must never import :mod:q2mm.io (or any other outer-layer
package) — q2mm.io parsers/serializers depend on q2mm.models, not
the other way around. Format-specific loaders/savers (load_mm3_fld,
save_mm3_fld, load_tinker_prm, save_tinker_prm, etc.) live in
q2mm.io and must be imported from there directly.