fixed import, remove value descriptions

nomad-coe · Jul 3, 2024 · 0c9be48 · 0c9be48 · github-actions · Jul 3, 2024
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commit 0c9be48
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Showing 4 changed files with 5 additions and 10 deletions.
diff --git a/src/nomad_simulations/schema_packages/physical_property.py b/src/nomad_simulations/schema_packages/physical_property.py
@@ -332,6 +332,10 @@ class PropertyContribution(PhysicalProperty):
     """
     Abstract physical property section linking a property contribution to a contribution
     from some method.
+
+    Abstract class for incorporating specific contributions of a physical property, while
+    linking this contribution to a specific component (of class `BaseModelMethod`) of the
+    over `ModelMethod` using the `model_method_ref` quantity.
     """
 
     model_method_ref = Quantity(

diff --git a/src/nomad_simulations/schema_packages/properties/energies.py b/src/nomad_simulations/schema_packages/properties/energies.py
@@ -48,7 +48,6 @@ class BaseEnergy(PhysicalProperty):
         type=np.float64,
         unit='joule',
         description="""
-        The amount of the energy.
         """,
     )
 

diff --git a/src/nomad_simulations/schema_packages/properties/forces.py b/src/nomad_simulations/schema_packages/properties/forces.py
@@ -49,7 +49,6 @@ class BaseForce(PhysicalProperty):
         type=np.dtype(np.float64),
         unit='newton',
         description="""
-        The amount of force.
         """,
     )
 

diff --git a/src/nomad_simulations/schema_packages/properties/thermodynamics.py b/src/nomad_simulations/schema_packages/properties/thermodynamics.py
@@ -28,7 +28,7 @@
     from structlog.stdlib import BoundLogger
 
 from nomad_simulations.schema_packages.physical_property import PhysicalProperty
-from nomad_simulations.schema_packages.properties import BaseEnergy
+from nomad_simulations.schema_packages.properties.energies import BaseEnergy
 
 ######################################
 # fundamental thermodynamic properties
@@ -47,7 +47,6 @@ class Pressure(PhysicalProperty):
         type=np.float64,
         unit='pascal',
         description="""
-        The value of the pressure.
         """,
     )
 
@@ -69,7 +68,6 @@ class Volume(PhysicalProperty):
         type=np.float64,
         unit='m ** 3',
         description="""
-        The value of the volume.
         """,
     )
 
@@ -86,7 +84,6 @@ class Temperature(PhysicalProperty):
         type=np.float64,
         unit='kelvin',
         description="""
-        The value of the temperature.
         """,
     )
 
@@ -152,7 +149,6 @@ class Entropy(PhysicalProperty):
         type=np.float64,
         unit='joule / kelvin',
         description="""
-        The value of the entropy.
         """,
     )
 
@@ -209,7 +205,6 @@ class HeatCapacity(PhysicalProperty):
         type=np.float64,
         unit='joule / kelvin',
         description="""
-        The value of the heat capacity.
         """,
     )
 
@@ -251,7 +246,6 @@ class MassDensity(PhysicalProperty):
         type=np.float64,
         unit='kg / m ** 3',
         description="""
-        The value of the mass density.
         """,
     )
 
@@ -270,7 +264,6 @@ class Hessian(PhysicalProperty):
         type=np.float64,
         unit='joule / m ** 2',
         description="""
-        The value of the Hessian.
         """,
     )
File	Stmts	Miss	Cover	Missing
src/nomad_simulations
__init__.py	4	2	50%	3–4
_version.py	11	2	82%	5–6
src/nomad_simulations/schema_packages
__init__.py	14	2	86%	53–55
atoms_state.py	190	21	89%	32–34, 220–223, 247, 302–303, 371–372, 374, 556, 568–569, 630–634, 649–653, 660
general.py	75	7	91%	30–31, 99, 163, 273–274, 284
model_method.py	265	77	71%	29–31, 190–193, 196–203, 295–296, 316, 337–356, 372–398, 401–418, 772, 783, 825–832, 870, 889, 969, 1026, 1101, 1215
model_system.py	261	22	92%	45–47, 514–517, 565–572, 746–747, 969–973, 979–980, 988–989, 994, 1017
numerical_settings.py	263	65	75%	32–34, 166, 236, 238–239, 242–245, 249–250, 257–260, 269–272, 276–279, 281–284, 289–292, 298–301, 472–499, 574, 609–612, 636, 639, 684, 686–689, 693, 697, 744, 748–769, 824–825, 892, 901–903, 906
outputs.py	115	10	91%	27–28, 247–250, 290–293, 318, 320, 357, 376
physical_property.py	102	7	93%	39–41, 221, 350–352
variables.py	64	11	83%	27–29, 115, 138, 158–159, 162, 184, 207, 227
src/nomad_simulations/schema_packages/properties
band_gap.py	51	5	90%	27–29, 154–155
band_structure.py	111	22	80%	28–30, 250–283, 296, 303, 339–340, 343
energies.py	36	9	75%	26–28, 55, 76, 101, 122, 132, 141
fermi_surface.py	17	4	76%	26–28, 59
forces.py	22	6	73%	27–29, 56, 76, 99
hopping_matrix.py	29	5	83%	26–28, 76, 111
permittivity.py	48	8	83%	26–28, 116–124
spectral_profile.py	256	124	52%	28–30, 76–79, 114–117, 218–319, 375–387, 412–415, 435, 440–443, 485–521, 545, 592–595, 611–612, 617–623
thermodynamics.py	75	18	76%	26–28, 54, 75, 91, 100, 109, 120, 129, 156, 166, 176, 196, 212, 237, 253, 278
src/nomad_simulations/schema_packages/utils
utils.py	68	14	79%	26–28, 78–87, 96–97, 102, 105
TOTAL	2087	441	79%