Change the url of the parameters to point to the EDL docs (#65)

EasyScience · Oct 29, 2024 · 0bebc46 · 0bebc46
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diff --git a/src/easycrystallography/Components/AtomicDisplacement.py b/src/easycrystallography/Components/AtomicDisplacement.py
@@ -28,22 +28,22 @@
 _ANIO_DETAILS = {
     'adp_type': {
         'description': "A standard code used to describe the type of atomic displacement parameters used for the site.",
-        'url':         'https://www.iucr.org/__data/iucr/cifdic_html/1/cif_core.dic/Iatom_site_adp_type.html',
+        'url':         'https://docs.easydiffraction.org/lib/project/dictionaries/_atom_site/',
         'value':       'Uani'
     },
     'Uani':     {
         'description': 'Isotropic atomic displacement parameter, or equivalent isotropic atomic  displacement '
                        'parameter, U(equiv), in angstroms squared, calculated from anisotropic atomic displacement  '
                        'parameters.',
-        'url':         'https://www.iucr.org/__data/iucr/cifdic_html/1/cif_core.dic/Iatom_site_aniso_U_.html',
+        'url':         'https://docs.easydiffraction.org/lib/project/dictionaries/_atom_site/',
         'value':       0.0,
         'units':       'angstrom^2',
         'fixed':       True,
     },
     'Uiso':     {
         'description': 'The standard anisotropic atomic displacement components in angstroms squared which appear in '
                        'the structure-factor term.',
-        'url':         'https://www.iucr.org/__data/iucr/cifdic_html/1/cif_core.dic/Iatom_site_U_iso_or_equiv.html',
+        'url':         'https://docs.easydiffraction.org/lib/project/dictionaries/_atom_site/',
         'value':       0.0,
         'min':         0,
         'max':         np.inf,
@@ -53,7 +53,7 @@
     'Bani':     {
         'description': 'The standard anisotropic atomic displacement components in angstroms squared which appear in '
                        'the structure-factor term.',
-        'url':         'https://www.iucr.org/__data/iucr/cifdic_html/1/cif_core.dic/Iatom_site_aniso_B_.html',
+        'url':         'https://docs.easydiffraction.org/lib/project/dictionaries/_atom_site/',
         'value':       0.0,
         'units':       'angstrom^2',
         'fixed':       True,
@@ -62,7 +62,7 @@
         'description': 'Isotropic atomic displacement parameter, or equivalent isotropic atomic displacement '
                        'parameter, B(equiv), in angstroms squared, calculated from anisotropic displacement '
                        'components.',
-        'url':         'https://www.iucr.org/__data/iucr/cifdic_html/1/cif_core.dic/Iatom_site_B_iso_or_equiv.html',
+        'url':         'https://docs.easydiffraction.org/lib/project/dictionaries/_atom_site/',
         'value':       0.0,
         'min':         0,
         'max':         np.inf,

diff --git a/src/easycrystallography/Components/Lattice.py b/src/easycrystallography/Components/Lattice.py
@@ -42,7 +42,7 @@
 CELL_DETAILS = {
     "length": {
         "description": "Unit-cell length of the selected structure in angstroms.",
-        "url": "https://www.iucr.org/__data/iucr/cifdic_html/1/cif_core.dic/Icell_length_.html",
+        "url": "https://docs.easydiffraction.org/lib/project/dictionaries/_cell/",
         "value": 3,
         "units": "angstrom",
         "min": 0,
@@ -51,7 +51,7 @@
     },
     "angle": {
         "description": "Unit-cell angle of the selected structure in degrees.",
-        "url": "https://www.iucr.org/__data/iucr/cifdic_html/1/cif_core.dic/Icell_angle_.html",
+        "url": "https://docs.easydiffraction.org/lib/project/dictionaries/_cell/",
         "value": 90,
         "units": "deg",
         "min": 0,

diff --git a/src/easycrystallography/Components/Site.py b/src/easycrystallography/Components/Site.py
@@ -34,18 +34,18 @@
     "label": {
         "value": "H",
         "description": "A unique identifier for a particular site in the crystal",
-        "url": "https://www.iucr.org/__data/iucr/cifdic_html/1/cif_core.dic/Iatom_site_label.html",
+        "url": "https://docs.easydiffraction.org/lib/project/dictionaries/_atom_site/",
     },
     "position": {
         "value": 0.0,
         "description": "Atom-site coordinate as fractions of the unit cell length.",
-        "url": "https://www.iucr.org/__data/iucr/cifdic_html/1/cif_core.dic/Iatom_site_fract_.html",
+        "url": "https://docs.easydiffraction.org/lib/project/dictionaries/_atom_site/",
         "fixed": True,
     },
     "occupancy": {
         "value": 1.0,
         "description": "The fraction of the atom type present at this site.",
-        "url": "https://www.iucr.org/__data/iucr/cifdic_html/1/cif_core.dic/Iatom_site_occupancy.html",
+        "url": "https://docs.easydiffraction.org/lib/project/dictionaries/_atom_site/",
         "fixed": True,
     },
 }

diff --git a/src/easycrystallography/Components/SpaceGroup.py b/src/easycrystallography/Components/SpaceGroup.py
@@ -28,15 +28,14 @@
         "name":        "hermann_mauguin",
         "description": "Hermann-Mauguin symbols given in Table 4.3.2.1 of International Tables for Crystallography "
                        "Vol. A (2002) or a Hermann-Mauguin symbol for a conventional or unconventional setting.",
-        "url":         "https://www.iucr.org/__data/iucr/cifdic_html/1/cif_core.dic/Ispace_group_name_H-M_alt.html",
+        "url":         "https://docs.easydiffraction.org/lib/project/dictionaries/_space_group/",
         "value":       "P 1",
     },
     'setting':             {
         'name':        'coordinate-code',
         'description': 'A qualifier taken from the enumeration list identifying which setting in International Tables '
                        'for Crystallography Volume A (2002) (IT) is used.',
-        'url':         'https://www.iucr.org/__data/iucr/cifdic_html/2/cif_sym.dic/Ispace_group'
-                       '.IT_coordinate_system_code.html',
+        'url':         'https://docs.easydiffraction.org/lib/project/dictionaries/_space_group/',
         'value':       '\x00',
     },
     'symmetry_ops': {

diff --git a/src/easycrystallography/Components/Specie.py b/src/easycrystallography/Components/Specie.py
@@ -20,7 +20,7 @@
 _SPECIE_DETAILS = {
     "type_symbol": {
         "description": "A code to identify the atom species occupying this site.",
-        "url":         "https://www.iucr.org/__data/iucr/cifdic_html/1/cif_core.dic/Iatom_site_type_symbol.html",
+        "url":         "https://docs.easydiffraction.org/lib/project/dictionaries/_atom_site/",
     },
 }
 

diff --git a/src/easycrystallography/Components/Susceptibility.py b/src/easycrystallography/Components/Susceptibility.py
@@ -28,12 +28,12 @@
 _ANIO_DETAILS = {
     'msp_type': {
         'description': "A standard code used to describe the type of atomic displacement parameters used for the site.",
-        'url':         'https://www.iucr.org/__data/iucr/cifdic_html/1/cif_core.dic/Iatom_site_adp_type.html',
+        'url':         'https://docs.easydiffraction.org/lib/project/dictionaries/_atom_site/',
         'value':       'Uani'
     },
     'Cani':     {
         'description': 'Isotropic magnetic susceptibility parameter.',
-        'url':         'https://www.iucr.org/__data/iucr/cifdic_html/1/cif_core.dic/Iatom_site_aniso_U_.html',
+        'url':         'https://docs.easydiffraction.org/lib/project/dictionaries/_atom_site/',
         'value':       0.0,
         'units':       'T^-1',
         'fixed':       True,

diff --git a/tests/unit_tests/Components/test_Lattice.py b/tests/unit_tests/Components/test_Lattice.py
@@ -512,7 +512,7 @@ def make_dict(value) -> dict:
             "max": np.inf,
             "fixed": True,
             "description": "Unit-cell length of the selected structure in angstroms.",
-            "url": "https://www.iucr.org/__data/iucr/cifdic_html/1/cif_core.dic/Icell_length_.html",
+            "url": "https://docs.easydiffraction.org/lib/project/dictionaries/_cell/",
             "units": "angstrom",
             "unique_name": "149027786693506016496254445195239597714",
             "enabled": True,
@@ -528,7 +528,7 @@ def make_dict(value) -> dict:
             "max": np.inf,
             "fixed": True,
             "description": "Unit-cell length of the selected structure in angstroms.",
-            "url": "https://www.iucr.org/__data/iucr/cifdic_html/1/cif_core.dic/Icell_length_.html",
+            "url": "https://docs.easydiffraction.org/lib/project/dictionaries/_cell/",
             "units": "angstrom",
             "unique_name": "294836968667493729920294930317191977696",
             "enabled": True,
@@ -544,7 +544,7 @@ def make_dict(value) -> dict:
             "max": np.inf,
             "fixed": True,
             "description": "Unit-cell length of the selected structure in angstroms.",
-            "url": "https://www.iucr.org/__data/iucr/cifdic_html/1/cif_core.dic/Icell_length_.html",
+            "url": "https://docs.easydiffraction.org/lib/project/dictionaries/_cell/",
             "units": "angstrom",
             "unique_name": "275642519607899521714432039990092728990",
             "enabled": True,
@@ -560,7 +560,7 @@ def make_dict(value) -> dict:
             "max": np.inf,
             "fixed": True,
             "description": "Unit-cell angle of the selected structure in degrees.",
-            "url": "https://www.iucr.org/__data/iucr/cifdic_html/1/cif_core.dic/Icell_angle_.html",
+            "url": "https://docs.easydiffraction.org/lib/project/dictionaries/_cell/",
             "units": "degree",
             "unique_name": "161899496656810433045540450883723049023",
             "enabled": True,
@@ -576,7 +576,7 @@ def make_dict(value) -> dict:
             "max": np.inf,
             "fixed": True,
             "description": "Unit-cell angle of the selected structure in degrees.",
-            "url": "https://www.iucr.org/__data/iucr/cifdic_html/1/cif_core.dic/Icell_angle_.html",
+            "url": "https://docs.easydiffraction.org/lib/project/dictionaries/_cell/",
             "units": "degree",
             "unique_name": "186637124621565458307862080073460500737",
             "enabled": True,
@@ -592,7 +592,7 @@ def make_dict(value) -> dict:
             "max": np.inf,
             "fixed": True,
             "description": "Unit-cell angle of the selected structure in degrees.",
-            "url": "https://www.iucr.org/__data/iucr/cifdic_html/1/cif_core.dic/Icell_angle_.html",
+            "url": "https://docs.easydiffraction.org/lib/project/dictionaries/_cell/",
             "units": "degree",
             "unique_name": "225244117838730303286513043607480352526",
             "enabled": True,

diff --git a/tests/unit_tests/Components/test_Site.py b/tests/unit_tests/Components/test_Site.py
@@ -205,8 +205,7 @@ def test_Site_as_dict(label, elm):
             "value": label,
             "units": "dimensionless",
             "description": "A unique identifier for a particular site in the crystal",
-            "url": "https://www.iucr.org/__data/iucr/cifdic_html/1/cif_core.dic/Iatom_site_label"
-            ".html",
+            "url": "https://docs.easydiffraction.org/lib/project/dictionaries/_atom_site/",
             "display_name": "label",
             "enabled": True,
         },
@@ -237,8 +236,7 @@ def test_Site_as_dict(label, elm):
             "max": np.inf,
             "fixed": True,
             "description": "The fraction of the atom type present at this site.",
-            "url": "https://www.iucr.org/__data/iucr/cifdic_html/1/cif_core.dic"
-            "/Iatom_site_occupancy.html",
+            "url": "https://docs.easydiffraction.org/lib/project/dictionaries/_atom_site/",
             "units": "dimensionless",
             "enabled": True,
         },
@@ -254,8 +252,7 @@ def test_Site_as_dict(label, elm):
             "max": np.inf,
             "fixed": True,
             "description": "Atom-site coordinate as fractions of the unit cell length.",
-            "url": "https://www.iucr.org/__data/iucr/cifdic_html/1/cif_core.dic"
-            "/Iatom_site_fract_.html",
+            "url": "https://docs.easydiffraction.org/lib/project/dictionaries/_atom_site/",
             "units": "dimensionless",
             "enabled": True,
         },
@@ -271,8 +268,7 @@ def test_Site_as_dict(label, elm):
             "max": np.inf,
             "fixed": True,
             "description": "Atom-site coordinate as fractions of the unit cell length.",
-            "url": "https://www.iucr.org/__data/iucr/cifdic_html/1/cif_core.dic"
-            "/Iatom_site_fract_.html",
+            "url": "https://docs.easydiffraction.org/lib/project/dictionaries/_atom_site/",
             "units": "dimensionless",
             "enabled": True,
         },
@@ -288,8 +284,7 @@ def test_Site_as_dict(label, elm):
             "max": np.inf,
             "fixed": True,
             "description": "Atom-site coordinate as fractions of the unit cell length.",
-            "url": "https://www.iucr.org/__data/iucr/cifdic_html/1/cif_core.dic"
-            "/Iatom_site_fract_.html",
+            "url": "https://docs.easydiffraction.org/lib/project/dictionaries/_atom_site/",
             "units": "dimensionless",
             "enabled": True,
         },
@@ -325,8 +320,7 @@ def test_Site_from_dict(label, elm):
             "value": label,
             "units": "dimensionless",
             "description": "A unique identifier for a particular site in the crystal",
-            "url": "https://www.iucr.org/__data/iucr/cifdic_html/1/cif_core.dic/Iatom_site_label"
-            ".html",
+            "url": "https://docs.easydiffraction.org/lib/project/dictionaries/_atom_site/",
             "display_name": "label",
             "enabled": True,
         },
@@ -351,8 +345,7 @@ def test_Site_from_dict(label, elm):
             "max": np.inf,
             "fixed": True,
             "description": "The fraction of the atom type present at this site.",
-            "url": "https://www.iucr.org/__data/iucr/cifdic_html/1/cif_core.dic"
-            "/Iatom_site_occupancy.html",
+            "url": "https://docs.easydiffraction.org/lib/project/dictionaries/_atom_site/",
             "units": "dimensionless",
             "enabled": True,
         },
@@ -368,8 +361,7 @@ def test_Site_from_dict(label, elm):
             "max": np.inf,
             "fixed": True,
             "description": "Atom-site coordinate as fractions of the unit cell length.",
-            "url": "https://www.iucr.org/__data/iucr/cifdic_html/1/cif_core.dic"
-            "/Iatom_site_fract_.html",
+            "url": "https://docs.easydiffraction.org/lib/project/dictionaries/_atom_site/",
             "units": "dimensionless",
             "enabled": True,
         },
@@ -385,8 +377,7 @@ def test_Site_from_dict(label, elm):
             "max": np.inf,
             "fixed": True,
             "description": "Atom-site coordinate as fractions of the unit cell length.",
-            "url": "https://www.iucr.org/__data/iucr/cifdic_html/1/cif_core.dic"
-            "/Iatom_site_fract_.html",
+            "url": "https://docs.easydiffraction.org/lib/project/dictionaries/_atom_site/",
             "units": "dimensionless",
             "enabled": True,
         },
@@ -402,8 +393,7 @@ def test_Site_from_dict(label, elm):
             "max": np.inf,
             "fixed": True,
             "description": "Atom-site coordinate as fractions of the unit cell length.",
-            "url": "https://www.iucr.org/__data/iucr/cifdic_html/1/cif_core.dic"
-            "/Iatom_site_fract_.html",
+            "url": "https://docs.easydiffraction.org/lib/project/dictionaries/_atom_site/",
             "units": "dimensionless",
             "enabled": True,
         },

diff --git a/tests/unit_tests/Components/test_SpaceGroup.py b/tests/unit_tests/Components/test_SpaceGroup.py
@@ -215,9 +215,7 @@ def test_SpaceGroup_as_dict():
                                        'enabled':      True,
                                        'name':         'coordinate-code',
                                        'display_name': 'coordinate-code',
-                                       'url':
-                                           'https://www.iucr.org/__data/iucr/cifdic_html/2/cif_sym.dic/Ispace_group'
-                                           '.IT_coordinate_system_code.html',
+                                       'url': 'https://docs.easydiffraction.org/lib/project/dictionaries/_space_group/',
                                        'description':  'A qualifier taken from the enumeration list identifying which '
                                                        'setting in International Tables for Crystallography Volume A '
                                                        '(2002) (IT) is used.',
@@ -229,8 +227,7 @@ def test_SpaceGroup_as_dict():
                                        'enabled':      True,
                                        'name':         'hermann_mauguin',
                                        'display_name': 'hermann_mauguin',
-                                       'url':          'https://www.iucr.org/__data/iucr/cifdic_html/1/cif_core.dic'
-                                                       '/Ispace_group_name_H-M_alt.html',
+                                       'url':          'https://docs.easydiffraction.org/lib/project/dictionaries/_space_group/',
                                        'description':  'Hermann-Mauguin symbols given in Table 4.3.2.1 of '
                                                        'International Tables for Crystallography Vol. A (2002) or a '
                                                        'Hermann-Mauguin symbol for a conventional or unconventional '
@@ -316,4 +313,4 @@ def testSpaceGroup_from_gemmi_ops():
     assert spg.int_number == 15
 
     spg = SpaceGroup.from_gemmi_operations(GroupOps(ops))
-    assert spg.int_number == 15
+    assert spg.int_number == 15