Crate gchemol_readwrite

Re-exports

• pub use crate::formats::describe_backends;

Modules

• formats
• prelude

Structs

• Template
  Template rendering using minijinja

Functions

• find_files
  Recursively find all files in root dir with given file name matching regex pattern. If not recursive, only files in root dir will be returned.
• guess_format_from_path
  Guess chemical file format from path
• read
  Read an iterator over Molecule from file. file format will be determined according to the path
• read_all
  Read all molecules into a Vec from path.
• read_from
  Read molecules from readable source in specific chemical file format.
• to_json
  Convert molecule to json string ready for template rendering
• to_json_value
  Convert molecule to json Value data structure for template rendering
• write
  Write molecules into path. File format will be determined according to the path
• write_format
  Write molecules into path in specific chemical file format.