From 0c9be482a19cf87ddff26e131f1ca29e0a616e3b Mon Sep 17 00:00:00 2001 From: jrudz Date: Wed, 3 Jul 2024 14:48:06 +0200 Subject: [PATCH] fixed import, remove value descriptions --- .../schema_packages/physical_property.py | 4 ++++ .../schema_packages/properties/energies.py | 1 - .../schema_packages/properties/forces.py | 1 - .../schema_packages/properties/thermodynamics.py | 9 +-------- 4 files changed, 5 insertions(+), 10 deletions(-) diff --git a/src/nomad_simulations/schema_packages/physical_property.py b/src/nomad_simulations/schema_packages/physical_property.py index e2f3df10..5d1ab622 100644 --- 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 index b29ee943..d31f3f09 100644 --- 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 index ddbc83c5..0ce7b945 100644 --- 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 index 738e2e39..5d0c4c03 100644 --- 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. """, )