Modularizes cli.py

setup.py

@@ -73,7 +73,7 @@ def read(*names, **kwargs):
         ],
     entry_points={
         'console_scripts': [
-            'haddock3 = haddock.clis.cli:main',
+            'haddock3 = haddock.clis.cli:maincli',
             ]
         },
     # cmdclass={'build_ext': optional_build_ext},

src/haddock/clis/cli.py

@@ -1,72 +1,140 @@
 #!/usr/bin/env python3
-
 import argparse
 import logging
 import sys
+from argparse import ArgumentTypeError
+from functools import partial
+
 from haddock.version import CURRENT_VERSION
-from haddock.workflow import WorkflowManager
-from haddock.gear.greetings import get_adieu, get_initial_greeting
-from haddock.gear.prepare_run import setup_run
-from haddock.error import HaddockError, ConfigurationError
-
-
-def main(args=None):
-
-    def positive_int(n):
-        n = int(n)
-        if n < 0:
-            raise argparse.ArgumentTypeError("Minimum value is 0")
-        return n
-
-    # Command line interface parser
-    parser = argparse.ArgumentParser()
-    # Add logging to CLI parser
-    levels = ("DEBUG", "INFO", "WARNING", "ERROR", "CRITICAL")
-    parser.add_argument("--log-level", default="INFO", choices=levels)
-    # Restart option
-    parser.add_argument("--restart", type=positive_int, default=0,
-                        help="Restart the recipe from this course")
-    # The recipe to be used
-    parser.add_argument("recipe", type=argparse.FileType("r"),
-                        help="The input recipe file name")
-    # Version
-    parser.add_argument("-V", "-v", "--version", help="show version",
-                        action="version",
-                        version="%s %s" % (parser.prog, CURRENT_VERSION))
+from haddock.libs.libutil import file_exists, non_negative_int
+
+
+# Command line interface parser
+ap = argparse.ArgumentParser()
+
+_arg_file_exist = partial(
+    file_exists,
+    exception=ArgumentTypeError,
+    emsg="File {!r} does not exist or is not a file.")
+ap.add_argument(
+    "recipe",
+    type=_arg_file_exist,
+    help="The input recipe file path",
+    )
+
+_arg_pos_int = partial(
+    non_negative_int,
+    exception=ArgumentTypeError,
+    emsg="Minimum value is 0, {!r} given.",
+    )
+ap.add_argument(
+    "--restart",
+    type=_arg_pos_int,
+    default=0,
+    help="Restart the recipe from this course",
+    )
+
+ap.add_argument(
+    "--setup",
+    help="Only setup the run, do not execute",
+    action="store_true",
+    dest='setup_only',
+    )
+
+_log_levels = ("DEBUG", "INFO", "WARNING", "ERROR", "CRITICAL")
+ap.add_argument(
+    "--log-level",
+    default="INFO",
+    choices=_log_levels,
+    )
+
+ap.add_argument(
+    "-v",
+    "--version",
+    help="show version",
+    action="version",
+    version=f'{ap.prog} - {CURRENT_VERSION}',
+    )
+
+
+def load_args(ap):
+    """Load argument parser args."""
+    return ap.parse_args()
 
-    # Special case only using print instead of logging
-    options = parser.parse_args()
-    if not hasattr(options, "version"):
-        print(get_initial_greeting())
+
+def cli(ap, main):
+    """Command-line interface entry point."""
+    cmd = load_args(ap)
+    main(**vars(cmd))
+
+
+def maincli():
+    """Main client execution."""
+    cli(ap, main)
+
+
+def main(
+        recipe,
+        restart=0,
+        setup_only=False,
+        log_level="INFO",
+        ):
+    """
+    Execute HADDOCK3 client logic.
+
+    Parameters
+    ----------
+    recipe : str or pathlib.Path
+        The path to the recipe (config file).
+
+    restart : int
+        At which step to restart haddock3 run.
+
+    setup_only : bool
+        Whether to setup the run without running it.
+
+    log_level : str
+        The logging level: INFO, DEBUG, ERROR, WARNING, CRITICAL.
+    """
+    # anti-pattern to speed up CLI initiation
+    from haddock.workflow import WorkflowManager
+    from haddock.gear.greetings import get_adieu, get_initial_greeting
+    from haddock.gear.prepare_run import setup_run
+    from haddock.error import HaddockError, ConfigurationError
 
     # Configuring logging
-    logging.basicConfig(level=options.log_level,
-                        format=("[%(asctime)s] %(name)s:L%(lineno)d"
-                                " %(levelname)s - %(message)s"))
+    logging.basicConfig(
+        level=log_level,
+        format="[%(asctime)s] %(name)s:L%(lineno)d %(levelname)s - %(message)s",
+        )
+
+    # Special case only using print instead of logging
+    logging.info(get_initial_greeting())
 
     try:
-        params, other_params = setup_run(options.recipe.name)
+        params, other_params = setup_run(recipe)
 
-    except ConfigurationError as se:
-        logging.error(se)
+    except ConfigurationError as err:
+        logging.error(err)
         sys.exit()
 
-    try:
-        workflow = WorkflowManager(
-            workflow_params=params,
-            start=options.restart,
-            **other_params,
-            )
+    if not setup_only:
+        try:
+            workflow = WorkflowManager(
+                workflow_params=params,
+                start=restart,
+                **other_params,
+                )
 
-        # Main loop of execution
-        workflow.run()
+            # Main loop of execution
+            workflow.run()
 
-    except HaddockError as he:
-        logging.error(he)
+        except HaddockError as err:
+            logging.error(err)
 
     # Finish
     logging.info(get_adieu())
 
 
 if __name__ == "__main__":
-    sys.exit(main())
+    sys.exit(maincli())

src/haddock/libs/libutil.py

@@ -2,7 +2,9 @@
 import logging
 import shutil
 from copy import deepcopy
+from operator import ge
 from os import cpu_count
+from pathlib import Path
 
 from haddock.error import SetupError
 
@@ -124,3 +126,73 @@ def parse_ncores(n=None, njobs=None, max_cpus=None):
     ncores = min(n, max_cpus)
     logger.info(f"Selected {ncores} for a maximum of {max_cpus} CPUs")
     return ncores
+
+
+def non_negative_int(
+        n,
+        exception=ValueError,
+        emsg="`n` do not satisfies",
+        ):
+    """
+    Transform `n` in int and returns if `compare` evaluates to True.
+
+    Parameters
+    ----------
+    n : int-convertable
+        Something that can be converted to int.
+
+    exception : Exception
+        The Exception to raise in case `n` is not a positive integer.
+
+    emsg : str
+        The error message to give to `exception`. May accept formatting
+        to pass `n`.
+
+    Raises
+    ------
+    ValueError, TypeError
+        If `n` cannot be converted to `int`
+    """
+    n1 = int(n)
+    if n1 >= 0:
+        return n1
+
+    # don't change to f-strings, .format has a purpose
+    raise exception(emsg.format(n))
+
+
+def file_exists(
+        path,
+        exception=ValueError,
+        emsg="`path` is not a file or does not exist",
+        ):
+    """
+    Asserts file exist.
+
+    Parameters
+    ----------
+    path : str or pathlib.Path
+        The file path.
+
+    exception : Exception
+        The Exception to raise in case `path` is not file or does not
+        exist.
+
+    emsg : str
+        The error message to give to `exception`. May accept formatting
+        to pass `path`.
+
+    Raises
+    ------
+    Exception
+        Any exception that pathlib.Path can raise.
+    """
+    p = Path(path)
+
+    valid = [p.exists, p.is_file]
+
+    if all(f() for f in valid):
+        return p
+
+    # don't change to f-strings, .format has a purpose
+    raise exception(emsg.format(str(path)))

tests/test_cli.py

@@ -0,0 +1,74 @@
+from pathlib import Path
+
+import pytest
+
+from haddock.clis.cli import ap
+
+
+recipe = Path(Path(__file__).resolve().parent, 'recipe.toml')
+
+
+def test_ap_recipe_does_not_exist():
+    with pytest.raises(SystemExit) as exit:
+        ap.parse_args('does_not_exit.toml'.split())
+    assert exit.type == SystemExit
+    assert exit.value.code == 2
+
+
+def test_ap_recipe_exists():
+    cmd = ap.parse_args(str(recipe).split())
+    with open(cmd.recipe) as fin:
+        fin.readlines()
+
+
+def test_ap_setup_true():
+    cmd = ap.parse_args(f'{recipe} --setup'.split())
+    assert cmd.setup_only == True
+
+
+def test_ap_setup_false():
+    cmd = ap.parse_args(str(recipe).split())
+    assert cmd.setup_only == False
+
+
+@pytest.mark.parametrize(
+    'n',
+    (0, 1, 10, 1230, 50000),
+    )
+def test_ap_restart(n):
+    cmd = ap.parse_args(f'{recipe} --restart {n}'.split())
+    assert cmd.restart == n
+
+
+@pytest.mark.parametrize(
+    'n',
+    (-1, -10, -1230, -50000),
+    )
+def test_ap_restart_error(n):
+    with pytest.raises(SystemExit) as exit:
+        cmd = ap.parse_args(f'{recipe} --restart {n}'.split())
+    assert exit.type == SystemExit
+    assert exit.value.code == 2
+
+
+def test_ap_version():
+    with pytest.raises(SystemExit) as exit:
+        ap.parse_args('-v'.split())
+    assert exit.type == SystemExit
+    assert exit.value.code == 0
+
+
+@pytest.mark.parametrize(
+    'level',
+    ("DEBUG", "INFO", "WARNING", "ERROR", "CRITICAL"),
+    )
+def test_ap_log_level(level):
+    cmd = ap.parse_args(f'{recipe} --log-level {level}'.split())
+    assert cmd.log_level == level
+
+
+def test_ap_log_level_error():
+    with pytest.raises(SystemExit) as exit:
+        ap.parse_args(f'{recipe} --log-level BAD'.split())
+    assert exit.type == SystemExit
+    assert exit.value.code == 2