From 1bd161dc7f39aff78801598b4880dfbced0615f6 Mon Sep 17 00:00:00 2001
From: David Fairbrother <DavidFair@users.noreply.github.com>
Date: Wed, 10 May 2017 12:08:40 +0100
Subject: [PATCH] Re #19509 Bring import into package namespace and give better
errors
---
scripts/Diffraction/isis_powder/__init__.py | 12 +++++++
.../isis_powder/routines/__init__.py | 4 +++
.../isis_powder/routines/sample_details.py | 34 ++++++++++++++-----
3 files changed, 41 insertions(+), 9 deletions(-)
diff --git a/scripts/Diffraction/isis_powder/__init__.py b/scripts/Diffraction/isis_powder/__init__.py
index e69de29bb2d..4da865423ba 100644
--- a/scripts/Diffraction/isis_powder/__init__.py
+++ b/scripts/Diffraction/isis_powder/__init__.py
@@ -0,0 +1,12 @@
+from __future__ import (absolute_import, division, print_function)
+
+# Bring instruments into package namespace
+from .gem import Gem
+from .pearl import Pearl
+from .polaris import Polaris
+
+# Other useful classes
+from .routines.sample_details import SampleDetails
+
+# Prevent users using from import *
+__all__ = []
diff --git a/scripts/Diffraction/isis_powder/routines/__init__.py b/scripts/Diffraction/isis_powder/routines/__init__.py
index e69de29bb2d..cf4ecb43ce6 100644
--- a/scripts/Diffraction/isis_powder/routines/__init__.py
+++ b/scripts/Diffraction/isis_powder/routines/__init__.py
@@ -0,0 +1,4 @@
+from __future__ import (absolute_import, division, print_function)
+
+# Currently these are the things from routines we want to expose to a public API
+from .sample_details import SampleDetails
\ No newline at end of file
diff --git a/scripts/Diffraction/isis_powder/routines/sample_details.py b/scripts/Diffraction/isis_powder/routines/sample_details.py
index b4cb542746f..041d4da5a83 100644
--- a/scripts/Diffraction/isis_powder/routines/sample_details.py
+++ b/scripts/Diffraction/isis_powder/routines/sample_details.py
@@ -1,11 +1,18 @@
from __future__ import (absolute_import, division, print_function)
from six import iteritems
+from isis_powder.routines import common
import math
class SampleDetails(object):
- def __init__(self, height, radius, center):
+ def __init__(self, **kwargs):
+ # By using kwargs we get a better error that, init takes 4 arguments
+ err_string = "A following sample property was not passed as an argument: "
+ height = common.dictionary_key_helper(dictionary=kwargs, key="height", exception_msg=err_string + "height")
+ radius = common.dictionary_key_helper(dictionary=kwargs, key="radius", exception_msg=err_string + "radius")
+ center = common.dictionary_key_helper(dictionary=kwargs, key="center", exception_msg=err_string + "center")
+
# Currently we only support cylinders
self.shape_type = "cylinder"
SampleDetails._validate_sample_details_constructor_inputs(height=height, radius=radius, center=center)
@@ -21,7 +28,12 @@ class SampleDetails(object):
def reset_sample_material(self):
self._material_object = None
- def set_material(self, chemical_formula, number_density=None):
+ def set_material(self, **kwargs):
+ chemical_formula = common.dictionary_key_helper(dictionary=kwargs, key="chemical_formula",
+ exception_msg="The following argument is required but was not"
+ " passed: chemical_formula")
+ number_density = common.dictionary_key_helper(dictionary=kwargs, key="number_density", throws=False)
+
if self._material_object is not None:
self.print_sample_details()
raise RuntimeError("The material has already been set to the above details. If the properties"
@@ -30,7 +42,12 @@ class SampleDetails(object):
self._material_object = _Material(chemical_formula=chemical_formula, numeric_density=number_density)
- def set_material_properties(self, absorption_cross_section, scattering_cross_section):
+ def set_material_properties(self, **kwargs):
+ err_msg = "The following argument is required but was not set or passed: "
+ absorption_cross_section = common.dictionary_key_helper(dictionary=kwargs, key="absorption_cross_section",
+ exception_msg=err_msg + "absorption_cross_section")
+ scattering_cross_section = common.dictionary_key_helper(dictionary=kwargs, key="scattering_cross_section",
+ exception_msg=err_msg + "scattering_cross_section")
if self._material_object is None:
raise RuntimeError("The material has not been set (or reset). Please set it by calling"
" 'set_material()' to set the material details of the sample.")
@@ -66,13 +83,12 @@ class SampleDetails(object):
if not isinstance(center, list):
raise ValueError("The center of the cylinder must be specified as a list of X, Y, Z co-ordinates."
" For example [0., 1., 2.]")
+
+ # The center of the cylinder can be at any position of X Y Z so don't check against physical constraints
if len(center) != 3:
raise ValueError("The center must have three values corresponding to X, Y, Z position of the sample."
" For example [0. ,1., 2.]")
- center_name = "center"
- for value in center:
- _check_value_is_physical(property_name=center_name, value=value)
- # All properties validated at this point
+ # All properties validated at this point
class _Material(object):
@@ -83,8 +99,8 @@ class _Material(object):
# which is required for absorption corrections.
if len(chemical_formula) > 2 and numeric_density is None:
raise ValueError("A numeric density formula must be set on a chemical formula which is not elemental."
- " An elemental chemical formula can only be a maximum of 2 characters "
- "(e.g. 'Si' or 'V')")
+ " An element can only be a maximum of 2 characters (e.g. 'Si' or 'V'). The numeric"
+ " density can be set using the following key: numeric_density")
if numeric_density:
# Always check value is sane if user has given one
_check_value_is_physical(property_name="numeric_density", value=numeric_density)
--
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