diff --git a/docs/conf.py b/docs/conf.py index 8eb645fd..3c964189 100644 --- a/docs/conf.py +++ b/docs/conf.py @@ -54,7 +54,8 @@ # General information about the project. now = datetime.datetime.now() project = "alchemlyb" -author = 'The alchemlyb development team (see AUTHORS)' +author = 'The alchemlyb development team ' \ + + '(see AUTHORS)' copyright = f"2017-{now.year}, " + author diff --git a/src/alchemlyb/parsing/amber.py b/src/alchemlyb/parsing/amber.py index 6bb5441f..6e00481c 100644 --- a/src/alchemlyb/parsing/amber.py +++ b/src/alchemlyb/parsing/amber.py @@ -334,7 +334,8 @@ def extract(outfile, T): if nstep != old_nstep and dvdl is not None and nstep is not None: if finished: raise ValueError( - "TI Energy detected after the TIMINGS section. Did you concatenate the output file?" + "TI Energy detected after the TIMINGS section." + + " Did you concatenate the output file?" ) file_datum.gradients.append(dvdl) nensec += 1 @@ -342,7 +343,8 @@ def extract(outfile, T): elif line.startswith("MBAR Energy analysis") and file_datum.have_mbar: if finished: raise ValueError( - "MBAR Energy detected after the TIMINGS section. Did you concatenate the output file?" + "MBAR Energy detected after the TIMINGS section." + + " Did you concatenate the output file?" ) mbar = secp.extract_section( "^MBAR", "^ ---", file_datum.mbar_lambdas, extra=line diff --git a/src/alchemlyb/parsing/util.py b/src/alchemlyb/parsing/util.py index 9feddc9e..77217f52 100644 --- a/src/alchemlyb/parsing/util.py +++ b/src/alchemlyb/parsing/util.py @@ -78,7 +78,8 @@ def anyopen(datafile: Union[PathLike, IO], mode="r", compression=None): return compressor(datafile, mode=mode) else: raise ValueError( - "`datafile` is a stream, but specified `compression` '{compression}' is not supported" + "`datafile` is a stream" + + ", but specified `compression` '{compression}' is not supported" ) # otherwise, treat as a file