chore(deps): update dependency scipy to ~1.13

CHANGELOG.md

@@ -2,6 +2,18 @@
 
 All notable changes to this project will be documented in this file. See [standard-version](https://github.com/conventional-changelog/standard-version) for commit guidelines.
 
+### [0.9.3](https://gitea.deepak.science:2222/physics/pdme/compare/0.9.2...0.9.3) (2024-02-26)
+
+
+### Features
+
+* adds util func for calculating arg using sign instead of complex arithmetic ([3ebe2bb](https://gitea.deepak.science:2222/physics/pdme/commit/3ebe2bb82430d677680383c42a1c269df83d99cd))
+
+
+### Bug Fixes
+
+* fixes stupid cost shape issue ([ed9dd2c](https://gitea.deepak.science:2222/physics/pdme/commit/ed9dd2c94f88a08c36f581f05b26a87a6b780d5b))
+
 ### [0.9.2](https://gitea.deepak.science:2222/physics/pdme/compare/0.9.1...0.9.2) (2023-07-24)
 
 

pdme/util/fast_nonlocal_spectrum.py

@@ -98,3 +98,11 @@ def fast_s_nonlocal_dipoleses(
 
 	_logger.debug(f"Raw pair calc: [{alphses1 * alphses2 * bses}]")
 	return numpy.einsum("...j->...", alphses1 * alphses2 * bses)
+
+
+def signarg(x, **kwargs):
+	"""
+	uses numpy.sign to implement Arg for real numbers only. Should return pi for negative inputs, 0 for positive.
+	Passes through args to numpy.sign
+	"""
+	return numpy.pi * (numpy.sign(x, **kwargs) - 1) / (-2)

pyproject.toml

@@ -1,6 +1,6 @@
 [tool.poetry]
 name = "pdme"
-version = "0.9.2"
+version = "0.9.3"
 description = "Python dipole model evaluator"
 authors = ["Deepak <dmallubhotla+github@gmail.com>"]
 license = "GPL-3.0-only"
@@ -9,7 +9,7 @@ readme = "README.md"
 [tool.poetry.dependencies]
 python = ">=3.8.1,<3.10"
 numpy = "^1.22.3"
-scipy = "~1.10"
+scipy = "~1.13"
 
 [tool.poetry.dev-dependencies]
 pytest = ">=6"

tests/util/__snapshots__/test_fast_nonlocal_spectrum.ambr

@@ -0,0 +1,20 @@
+# serializer version: 1
+# name: test_arg
+  list([
+    list([
+      -0.0,
+      -0.0,
+      -0.0,
+    ]),
+    list([
+      3.141592653589793,
+      -0.0,
+      -0.0,
+    ]),
+    list([
+      -0.0,
+      -0.0,
+      3.141592653589793,
+    ]),
+  ])
+# ---

tests/util/__snapshots__/test_fast_nonlocal_spectrum_pairs.ambr

@@ -0,0 +1,13 @@
+# serializer version: 1
+# name: test_fast_nonlocal_calc_multidipole_phase_snapshot
+  list([
+    list([
+      -0.0,
+      -0.0,
+    ]),
+    list([
+      -0.0,
+      3.141592653589793,
+    ]),
+  ])
+# ---

tests/util/test_fast_nonlocal_spectrum.py

@@ -53,3 +53,11 @@ def test_fast_nonlocal_frequency_check():
 
 	with pytest.raises(ValueError):
 		pdme.util.fast_nonlocal_spectrum.fast_s_nonlocal(dot_pairs, dipoles)
+
+
+def test_arg(snapshot):
+
+	test_input = numpy.array([[1, 2, 3], [-1, 1, 3], [3, 5, -1]])
+
+	actual_result = pdme.util.fast_nonlocal_spectrum.signarg(test_input)
+	assert actual_result.tolist() == snapshot

tests/util/test_fast_nonlocal_spectrum_pairs.py

@@ -53,3 +53,24 @@ def test_fast_nonlocal_frequency_check_multidipole():
 
 	with pytest.raises(ValueError):
 		pdme.util.fast_nonlocal_spectrum.fast_s_nonlocal_dipoleses(dot_pairs, dipoles)
+
+
+def test_fast_nonlocal_calc_multidipole_phase_snapshot(snapshot):
+	d1 = [1, 2, 3, 4, 5, 6, 7]
+	d2 = [1, 2, 3, 4, 5, 6, 8]
+	d3 = [2, 5, 3, 4, -5, -6, 2]
+	d4 = [-3, 2, 1, 4, 5, 6, 10]
+
+	dipoleses = numpy.array([[d1, d2], [d3, d4]])
+
+	dot_pairs = numpy.array(
+		[[[-1, -2, -3, 11], [-1, 2, 5, 11]], [[-1, -2, -3, 6], [2, 4, 6, 6]]]
+	)
+
+	# this is a bit silly but just set the logger to debug so that the coverage stats don't get affected by the debug statements.
+	pdme.util.fast_nonlocal_spectrum._logger.setLevel(logging.DEBUG)
+
+	actual_phases = pdme.util.fast_nonlocal_spectrum.signarg(
+		pdme.util.fast_nonlocal_spectrum.fast_s_nonlocal_dipoleses(dot_pairs, dipoleses)
+	)
+	assert actual_phases.tolist() == snapshot