restage 0.8.0__tar.gz → 0.8.2__tar.gz

{restage-0.8.0/src/restage.egg-info → restage-0.8.2}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: restage
-Version: 0.8.0
+Version: 0.8.2
 Author-email: Gregory Tucker <gregory.tucker@ess.eu>
 License: BSD-3-Clause
 Classifier: License :: OSI Approved :: BSD License
@@ -17,7 +17,7 @@ Requires-Dist: zenlog>=1.1
 Requires-Dist: platformdirs>=3.11
 Requires-Dist: confuse
 Requires-Dist: psutil>=5.9.6
-Requires-Dist: mccode-antlr[hdf5]>=0.15.0
+Requires-Dist: mccode-antlr[hdf5]>=0.15.1
 Provides-Extra: test
 Requires-Dist: pytest; extra == "test"
 Requires-Dist: chopcal; extra == "test"

{restage-0.8.0 → restage-0.8.2}/pyproject.toml

@@ -9,7 +9,7 @@ dependencies = [
     'platformdirs>=3.11',
     'confuse',
     'psutil>=5.9.6',
-    'mccode-antlr[hdf5]>=0.15.0',
+    'mccode-antlr[hdf5]>=0.15.1',
 ]
 readme = "README.md"
 license = {text = "BSD-3-Clause"}

{restage-0.8.0 → restage-0.8.2}/src/restage/splitrun.py

@@ -1,6 +1,8 @@
 from __future__ import annotations
 
 from pathlib import Path
+from typing import Optional
+
 from .tables import SimulationEntry, InstrEntry
 
 def mcpl_parameters_split(s: str) -> list[tuple[str, str]]:
@@ -13,6 +15,8 @@ def si_int(s: str) -> int:
         'Ki': 2 ** 10, 'Mi': 2 ** 20, 'Gi': 2 ** 30, 'Ti': 2 ** 40, 'Pi': 2 ** 50
     }
     def int_mult(x: str, mult: int = 1):
+        if len(x) == 0 and mult > 1:
+            return mult
         return int(x) * mult if x.isnumeric() else int(float(x) * mult)
 
     def do_parse():
@@ -24,7 +28,7 @@ def si_int(s: str) -> int:
         return int_mult(s)
     value = do_parse()
     if value < 0:
-        logger.info('Negative value encountered')
+        raise ValueError(f'Negative {value=} encountered')
     elif value > 2**53:
         logger.info(
             'McStas/McXtrace parse integer inputs as doubles,'
@@ -33,6 +37,17 @@ def si_int(s: str) -> int:
         )
     return value
 
+def si_int_limits(s: str) -> tuple[Optional[int], int, Optional[int]]:
+    low, high = None, None
+    min_seps, max_seps = (']', '-', '}'), ('[', '+', '{')
+    if any(x in s for x in min_seps):
+        low, s = s.split(next(x for x in min_seps if x in s), maxsplit=1)
+        low = si_int(low)
+    if any(x in s for x in max_seps):
+        s, high = s.split(next(x for x in max_seps if x in s), maxsplit=1)
+        high = si_int(high)
+    return low, si_int(s), high
+
 def make_splitrun_parser():
     from argparse import ArgumentParser
     parser = ArgumentParser('splitrun')
@@ -40,7 +55,8 @@ def make_splitrun_parser():
     aa('instrument', type=str, default=None,
        help='Instrument `.instr` file name or serialised HDF5 or JSON Instr object')
     aa('parameters', nargs='*', type=str, default=None)
-    aa('-n', '--ncount', type=si_int, default=None, help='Number of neutrons to simulate')
+    aa('-n', '--ncount', type=si_int_limits, default=None, metavar='[MIN-]COUNT[+MAX]',
+       help='COUNT {number}[kMGTP] target, MIN MAX replace missing --nmin --nmax')
     aa('-m', '--mesh', action='store_true', default=False, help='N-dimensional mesh scan')
     aa('-d', '--dir', type=str, default=None, help='Output directory')
     aa('-s', '--seed', type=int, default=None, help='Random number generator seed')
@@ -49,16 +65,16 @@ def make_splitrun_parser():
        help='Enable gravitation for all trajectories')
     aa('--bufsiz', type=si_int, default=None, help='Monitor_nD list/buffer-size')
     aa('--format', type=str, default=None, help='Output data files using FORMAT')
-    aa('--nmin', type=int, default=None,
-       help='Minimum number of particles to simulate during first instrument simulations')
-    aa('--nmax', type=int, default=None,
-       help='Maximum number of particles to simulate during first instrument simulations')
+    aa('--nmin', type=si_int, default=None, metavar='MIN',
+       help='MIN {number}[kMGTP] rays per first-instrument simulation')
+    aa('--nmax', type=si_int, default=None, metavar='MAX',
+       help='MAX {number}[kMGTP] rays per first-instrument simulation')
     aa('--dryrun', action='store_true', default=False,
        help='Do not run any simulations, just print the commands')
     aa('--parallel', action='store_true', default=False,
-       help='Use MPI multi-process parallelism (primary instrument only at the moment)')
+       help='Use MPI multi-process parallelism')
     aa('--gpu', action='store_true', default=False,
-       help='Use GPU OpenACC parallelism (primary instrument only at the moment)')
+       help='Use GPU OpenACC parallelism')
     aa('--process-count', type=int, default=0,
        help='MPI process count, 0 == System Default')
     # splitrun controlling parameters
@@ -119,6 +135,31 @@ def parse_splitrun_precision(unparsed: list[str]) -> dict[str, float]:
         precision[k] = float(v)
     return precision
 
+def args_fixup(args):
+    """Ensure that arguments match expectations
+
+    - MCPL input and output instance parameters should be dictionaries if present.
+    - NCOUNT needs to be separated into (MIN, COUNT, MAX) values, with multiple
+      specifications of either MIN or MAX checked for consistency
+    """
+    if args.mcpl_input_parameters is not None:
+        args.mcpl_input_parameters = dict(args.mcpl_input_parameters)
+    if args.mcpl_output_parameters is not None:
+        args.mcpl_output_parameters = dict(args.mcpl_output_parameters)
+
+    if args.ncount is not None:
+        nmin, ncount, nmax = args.ncount
+        if args.nmin and nmin and args.nmin != nmin:
+            raise ValueError(f'Invalid repeated nmin specification: {nmin} != {args.nmin}')
+        if args.nmax and nmax and args.nmax != nmax:
+            raise ValueError(f'Invalid repeated nmax specification: {nmax} != {args.nmax}')
+        if nmin and not args.nmin:
+            args.nmin = nmin
+        if nmax and not args.nmax:
+            args.nmax = nmax
+        args.ncount = ncount
+
+    return args
 
 def parse_splitrun(parser):
     from .range import parse_scan_parameters
@@ -126,11 +167,8 @@ def parse_splitrun(parser):
     import sys
     sys.argv[1:] = sort_args(sys.argv[1:])
 
-    args = parser.parse_args()
-    if args.mcpl_input_parameters is not None:
-        args.mcpl_input_parameters = dict(args.mcpl_input_parameters)
-    if args.mcpl_output_parameters is not None:
-        args.mcpl_output_parameters = dict(args.mcpl_output_parameters)
+    args = args_fixup(parser.parse_args())
+
     parameters = parse_scan_parameters(args.parameters)
     precision = parse_splitrun_precision(args.P)
     return args, parameters, precision

{restage-0.8.0 → restage-0.8.2/src/restage.egg-info}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: restage
-Version: 0.8.0
+Version: 0.8.2
 Author-email: Gregory Tucker <gregory.tucker@ess.eu>
 License: BSD-3-Clause
 Classifier: License :: OSI Approved :: BSD License
@@ -17,7 +17,7 @@ Requires-Dist: zenlog>=1.1
 Requires-Dist: platformdirs>=3.11
 Requires-Dist: confuse
 Requires-Dist: psutil>=5.9.6
-Requires-Dist: mccode-antlr[hdf5]>=0.15.0
+Requires-Dist: mccode-antlr[hdf5]>=0.15.1
 Provides-Extra: test
 Requires-Dist: pytest; extra == "test"
 Requires-Dist: chopcal; extra == "test"

{restage-0.8.0 → restage-0.8.2}/src/restage.egg-info/requires.txt

@@ -2,7 +2,7 @@ zenlog>=1.1
 platformdirs>=3.11
 confuse
 psutil>=5.9.6
-mccode-antlr[hdf5]>=0.15.0
+mccode-antlr[hdf5]>=0.15.1
 
 [test]
 pytest

{restage-0.8.0 → restage-0.8.2}/test/test_single.py

@@ -45,17 +45,28 @@ class SingleTestCase(unittest.TestCase):
         self.assertEqual(args.split_at, 'here')
         self.assertTrue(args.mesh)
 
+    def test_negative_count_throws(self):
+        from restage.splitrun import si_int, si_int_limits
+        with self.assertRaises(ValueError):
+            si_int('-10')
+        with self.assertRaises(ValueError):
+            si_int_limits('10--4+10') # '10--4+10' -> ('10', '-4+10') -> (10, '-4', '10')
+        with self.assertRaises(ValueError):
+            # This is probably a parsing error, but would raise a negative error
+            # in si_int, so is fine. '-10]-2[-1' -> ('','10]-2[-1') -> Error on int('')
+            si_int_limits('-10]-2[-1')
+
     def test_mccode_flags(self):
-        args = self.parser.parse_args(['test.instr', '-s', '123456', '-n', '-1', '-d', '/a/dir', '-t', '-g'])
+        args = self.parser.parse_args(['test.instr', '-s', '123456', '-n', '1', '-d', '/a/dir', '-t', '-g'])
         self.assertEqual(args.seed, 123456)
-        self.assertEqual(args.ncount, -1)
+        self.assertEqual(args.ncount, (None, 1, None))
         self.assertEqual(args.dir, '/a/dir')
         self.assertEqual(args.trace, True)
         self.assertEqual(args.gravitation, True)
 
         args = self.parser.parse_args(['test.instr', '-s=99999', '-n=10000', '-d=/b/dir'])
         self.assertEqual(args.seed, 99999)
-        self.assertEqual(args.ncount, 10000)
+        self.assertEqual(args.ncount, (None, 10000, None))
         self.assertEqual(args.dir, '/b/dir')
         self.assertEqual(args.trace, False)
         self.assertEqual(args.gravitation, False)
@@ -63,7 +74,7 @@ class SingleTestCase(unittest.TestCase):
         args = self.parser.parse_args(['test.instr', '--seed', '888', '--ncount', '4', '--dir', '/c/dir', '--trace',
                                        '--gravitation', '--bufsiz', '1000', '--format', 'NEXUS'])
         self.assertEqual(args.seed, 888)
-        self.assertEqual(args.ncount, 4)
+        self.assertEqual(args.ncount, (None, 4, None))
         self.assertEqual(args.dir, '/c/dir')
         self.assertEqual(args.trace, True)
         self.assertEqual(args.gravitation, True)
@@ -73,13 +84,30 @@ class SingleTestCase(unittest.TestCase):
         args = self.parser.parse_args(['test.instr', '--seed=777', '--ncount=5', '--dir=/d/dir', '--bufsiz=2000',
                                        '--format=RAW'])
         self.assertEqual(args.seed, 777)
-        self.assertEqual(args.ncount, 5)
+        self.assertEqual(args.ncount, (None, 5, None))
         self.assertEqual(args.dir, '/d/dir')
         self.assertEqual(args.trace, False)
         self.assertEqual(args.gravitation, False)
         self.assertEqual(args.bufsiz, 2000)
         self.assertEqual(args.format, 'RAW')
 
+    def test_ncount_varieties(self):
+        args = self.parser.parse_args(['test.instr', '--ncount=5'])
+        self.assertEqual(args.ncount, (None, 5, None))
+        args = self.parser.parse_args(['test.instr', '-n' ,'4k'])
+        self.assertEqual(args.ncount, (None, 4000, None))
+        args = self.parser.parse_args(['test.instr', '-n', '3-2+1'])
+        self.assertEqual(args.ncount, (3, 2, 1))
+        args = self.parser.parse_args(['test.instr', '-n', '1M]1G[1T'])
+        self.assertEqual(args.ncount, (10**6, 10**9, 10**12))
+        args = self.parser.parse_args(['test.instr', '-n', '1Ki}Mi{2Gi'])
+        self.assertEqual(args.ncount, (2**10, 2**20, 2**31))
+        args = self.parser.parse_args(['t.instr', '-n', '1.1M', '--nmin', 'M', '--nmax', '2M'])
+        self.assertEqual(args.ncount, (None, 1100000, None))
+        self.assertEqual(args.nmin, 1000000)
+        self.assertEqual(args.nmax, 2000000)
+
+
     def test_parameters(self):
         from restage.range import MRange, Singular, parameters_to_scan, parse_scan_parameters
         args = self.parser.parse_args(['test.instr', 'a=1.0', 'b=2', 'c=3:5', 'd=blah', 'e=/data', '-m'])