Results
io.amber.v22.parsers.results.PAT_BOND = b'^\\s*BOND\\s*='
module-attribute
¶
io.amber.v22.parsers.results.PAT_DENSITY = b'^\\s*Density\\s*='
module-attribute
¶
io.amber.v22.parsers.results.PAT_ETOT = b'^\\s*Etot\\s*='
module-attribute
¶
io.amber.v22.parsers.results.PAT_NSTEP = b'NSTEP\\s*=\\s*\\d+'
module-attribute
¶
io.amber.v22.parsers.results.PAT_VOLUME = b'\\s*VOLUME\\s*='
module-attribute
¶
io.amber.v22.parsers.results.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:
|