Merge pull request #233 from smash-transport/sparkx_devel

Sparkx devel

CHANGELOG.md

@@ -18,6 +18,14 @@ The main categories for changes in this file are:
 
 A `Deprecated` section could be added if needed for soon-to-be removed features.
 
+## v1.2.1-Newton
+Date: 2024-05-08
+
+### Fixed
+* Jetscape: Fix for Jetscape charged particle filtering
+
+[Link to diff from previous version](https://github.com/smash-transport/sparkx/compare/v1.2.0...v1.2.1)
+
 ## v1.2.0-Newton
 Date: 2024-04-21
 

CONTRIBUTORS.md

@@ -6,7 +6,7 @@ The SPARKX Team
 
 Author  |   E-Mail  | Copyright © 
 :----:  |  :----: | :---------: |
-Niklas Götz | [✉️](mailto:goetz@fias.uni-frankfurt.de) | `2023 -` |
-Hendrik Roch | [✉️](mailto:[email protected]) | `2023 -` |
-Nils Sass | [✉️](mailto:nsass@fias.uni-frankfurt.de) | `2023 -` |
+Niklas Götz | [✉️](mailto:goetz@itp.uni-frankfurt.de) | `2023 -` |
+Hendrik Roch | [✉️](mailto:[email protected]) | `2023 -` |
+Nils Sass | [✉️](mailto:nsass@itp.uni-frankfurt.de) | `2023 -` |
 

docs/source/conf.py

@@ -20,7 +20,7 @@
 project = 'sparkx'
 copyright = '2024, SPARKX Collaboration'
 author = 'Hendrik Roch, Nils Sass, Niklas Götz'
-release = '1.2.0'
+release = '1.2.1'
 
 # -- General configuration ---------------------------------------------------
 # https://www.sphinx-doc.org/en/master/usage/configuration.html#general-configuration

pyproject.toml

@@ -4,14 +4,15 @@ build-backend = "hatchling.build"
 
 [project]
 name = "sparkx"
-version = "1.2.0"
+version = "1.2.1"
 authors = [
-    { name="Niklas Götz", email="goetz@fias.uni-frankfurt.de"},
-    { name="Hendrik Roch", email="[email protected]" },
-    { name="Nils Sass", email="nsass@fias.uni-frankfurt.de" }
+    { name="Niklas Götz", email="goetz@itp.uni-frankfurt.de"},
+    { name="Hendrik Roch", email="[email protected]" },
+    { name="Nils Sass", email="nsass@itp.uni-frankfurt.de" }
 ]
 description = "Software Package for Analyzing Relativistic Kinematics in Collision eXperiments"
 readme = "README.md"
+license = {file = "LICENSE"}
 requires-python = ">=3.8"
 classifiers = [
     "Programming Language :: Python :: 3",

setup.py

@@ -12,12 +12,12 @@
         "fastjet==3.4.1.3",
         "matplotlib>=3.7.1",
     ],
-    version='1.2.0',
+    version='1.2.1',
     description='Software Package for Analyzing Relativistic Kinematics in Collision eXperiments',
     long_description=open("README.md").read(),
     long_description_content_type="text/markdown",
     author='Niklas Götz, Hendrik Roch, Nils Sass',
-    author_email="goetz@fias.uni-frankfurt.de, [email protected], nsass@fias.uni-frankfurt.de",
+    author_email="goetz@itp.uni-frankfurt.de, [email protected], nsass@itp.uni-frankfurt.de",
     url="https://smash-transport.github.io/sparkx/",
     download_url="https://github.com/smash-transport/sparkx",
     license='MIT',

src/sparkx/Particle.py

@@ -214,14 +214,14 @@ class Particle:
     def __init__(self,input_format=None,particle_array=None):
         self.data_ = np.array(25*[np.nan],dtype=float)
         self.pdg_valid = False
-        
+
         if ((input_format is not None) and (particle_array is None)) or ((input_format is None) and (particle_array is not None)):
             raise ValueError("'input_format' or 'particle_array' not given")
 
         if (input_format is not None) and (particle_array is not None):
             self.__initialize_from_array(input_format,particle_array)
-            
-        
+
+
     def __initialize_from_array(self,input_format,particle_array):
         """
         Initialize instance attributes based on the provided input format and array.
@@ -368,16 +368,20 @@ def __initialize_from_array(self,input_format,particle_array):
                     else:
                         self.data_[index[0]] = int(particle_array[index[1]])
 
+                # It is important for JETSCAPE particles to compute pdg_valid
+                # here because the compute_charge_from_pdg function depends on it. 
+                self.pdg_valid = PDGID(self.pdg).is_valid
+
                 if input_format == "JETSCAPE":
                     self.mass = self.compute_mass_from_energy_momentum()
                     self.charge = self.compute_charge_from_pdg()
+                    if self.pdg_valid == False and np.isnan(self.charge):
+                        warnings.warn('The PDG code ' + str(int(self.pdg)) + ' is not known by PDGID, charge could not be computed. Consider setting it by hand.')
             else:
                 raise ValueError("The input file is corrupted! " +\
                                  "A line with wrong number of columns "+str(len(particle_array))+" was found.")
         else:
             raise ValueError(f"Unsupported input format '{input_format}'")
-
-        self.pdg_valid = PDGID(self.pdg).is_valid
 
         if(not self.pdg_valid):
              warnings.warn('The PDG code ' + str(int(self.pdg)) + ' is not valid. '+
@@ -434,6 +438,7 @@ def z(self):
         z : float
         """
         return self.data_[3]
+
     @z.setter
     def z(self,value):
         self.data_[3] = value
@@ -761,7 +766,7 @@ def pdg_valid(self):
 
     @pdg_valid.setter
     def pdg_valid(self,value):
-        self.data_[10] = value
+        self.data_[10] = 1 if value else 0
 
     def print_particle(self):
         """Print the whole particle information as csv string.
@@ -1114,7 +1119,7 @@ def is_heavy_flavor(self):
             return True
         else:
             return False
-     
+
     def spin(self):
         """
         Get the total spin :math:`J` of the particle.
@@ -1131,7 +1136,7 @@ def spin(self):
         if not self.pdg_valid:
             return np.nan
         return PDGID(self.pdg).J
-           
+
     def spin_degeneracy(self):
         """
         Get the number of all possible spin projections (:math:`2J + 1`).
@@ -1148,4 +1153,20 @@ def spin_degeneracy(self):
         if not self.pdg_valid:
             return np.nan
         return PDGID(self.pdg).j_spin
-
+
+format1 = "JETSCAPE"
+array1 = np.array([1,211,27,4.36557,3.56147,0.562961,2.45727])
+
+p1 = Particle(input_format=format1,particle_array=array1)
+assert p1.ID == 1
+assert p1.pdg == 211
+assert p1.status == 27
+assert p1.E == 4.36557
+assert p1.px == 3.56147
+assert p1.py == 0.562961
+assert p1.pz == 2.45727
+assert np.isclose(p1.mass, 0.137956238, rtol=1e-6)
+assert p1.pdg_valid == True
+assert p1.charge == 1
+
+print(p1.compute_charge_from_pdg())

tests/test_Jetscape.py

@@ -378,4 +378,8 @@ def test_Jetscape_print(jetscape_file_path, output_path):
 def test_Jetscape_get_sigmaGen(jetscape_file_path):
     jetscape = Jetscape(jetscape_file_path)
     assert jetscape.get_sigmaGen() == (0.000314633,6.06164e-07)
-
+
+def test_Jetscape_charge_filter_one_event(jetscape_file_path):
+    jetscape = Jetscape(jetscape_file_path, events=0).charged_particles()
+    assert jetscape.num_events() == 1
+    assert (jetscape.num_output_per_event() == np.array([[1, 14]])).all()

tests/test_Particle.py

@@ -177,16 +177,20 @@ def test_status():
 
 def test_initialize_from_array_valid_formats():
     format1 = "JETSCAPE"
-    array1 = np.array([1,211,27,3.0,0.5,1.0,1.5])
+    array1 = np.array([1,211,27,4.36557,3.56147,0.562961,2.45727])
 
     p1 = Particle(input_format=format1,particle_array=array1)
     assert p1.ID == 1
     assert p1.pdg == 211
     assert p1.status == 27
-    assert p1.E == 3.0
-    assert p1.px == 0.5
-    assert p1.py == 1.0
-    assert p1.pz == 1.5
+    assert p1.E == 4.36557
+    assert p1.px == 3.56147
+    assert p1.py == 0.562961
+    assert p1.pz == 2.45727
+    assert np.isclose(p1.mass, 0.137956238, rtol=1e-6)
+    assert p1.pdg_valid == True
+    assert p1.charge == 1
+
 
     format2 = "Oscar2013"
     array2 = np.array([0.0,1.0,2.0,3.0,0.138,4.0,5.0,6.0,7.0,211,100,1])
@@ -284,6 +288,15 @@ def test_initialize_from_array_valid_formats():
     assert p5.pdg_mother2 == 2212
     assert p5.weight == 0.75
 
+def test_initialize_from_array_Jetscape_invalid_pdg_warning():
+    format1 = "JETSCAPE"
+    array1 = np.array([1,99999999,27,4.36557,3.56147,0.562961,2.45727])
+
+    # check that a warning is issued
+    with pytest.warns(UserWarning, match=r"The PDG code 99999999 is not known by PDGID, charge could not be computed. Consider setting it by hand."):
+        Particle(input_format=format1,particle_array=array1)
+
+
 def test_initialize_from_array_invalid_format():
     with pytest.raises(ValueError, match=r"Unsupported input format 'InvalidFormat'"):
         Particle(input_format="InvalidFormat", particle_array=np.array([1, 2, 3]))

tests/test_files/test_jet_finding.csv

@@ -1,63 +1,35 @@
 0,33.49336878176815,-0.5351630556762148,3.885673126776016,10,10,39.219071,0
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+3,2.1676407998789835,-0.21835663305558334,3.7867010404432873,27,211,2.22381,0
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-2,0.9721792260277937,0.2819647295235115,0.9799625312437784,27,111,1.02046,0
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@@ -66,23 +38,12 @@
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