Results

PAT_BOND = b'^\\s*BOND\\s*='

PAT_DENSITY = b'^\\s*Density\\s*='

PAT_ETOT = b'^\\s*Etot\\s*='

PAT_NSTEP = b'NSTEP\\s*=\\s*\\d+'

PAT_VOLUME = b'\\s*VOLUME\\s*='

AmberResultsParser(engine=None)

Bases: StateParser[AmberV22State]

Parses an Amber RESULTS section using any ScanEngine implementation.

PARAMETER	DESCRIPTION
engine	A concrete engine (e.g., StdRegexEngine). If omitted the std-lib regex engine is used. TYPE: ScanEngine | None DEFAULT: None

engine = engine or StdRegexEngine()

parse(data, state)