0.3 docs

samirelanduk · May 28, 2021 · 1f71abc · 1f71abc
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diff --git a/README.rst b/README.rst
@@ -26,9 +26,9 @@ Example
 -------
 
     >>> import pdbsearch
-    >>> codes = pdbsearch.search(limit=5)
+    >>> codes = pdbsearch.search(limit=5, ligand_name="CU")
     >>> codes
-    ['4CD7', '4CCW', '4CD8', '4CCX', '4CCY']
+    ['3HW7', '2WKO', '2WOF', '2WOH', '2WO0']
 
 
 
@@ -117,13 +117,46 @@ You can sort by multiple criteria:
     >>> pdbsearch.search(limit=5, sort=["-atoms", "released"])
     ['1ANP', '6UOU', '6UOW', '1Q7O', '6QTF']
 
+Search Criteria
+~~~~~~~~~~~~~~~
 
+You can search by passing keywords to the search function:
 
+    >>> pdbsearch.search(limit=5, ligand_name="ZN")
+    ['3HW7', '3I7I', '3I7G', '2WFX', '2WGT']
 
+You can modify the operator used with double underscores:
+
+    >>> pdbsearch.search(limit=5, ligand_name__in=["ZN", "CU"])
+    ['3HW7', '3I7I', '3I7G', '2WFX', '2WGT']
+    >>> pdbsearch.search(limit=5, resolution__lt=2)
+    ['3HW3', '3I83', '3HVS', '3HW4', '3HW5']
+    >>> pdbsearch.search(limit=5, atoms__within=[200, 300])
+    ['2WH9', '2WPY', '395D', '396D', '2X8Q']
+
+These are some shorthands, but you can search by any of the terms in the above
+linked list by replacing the dot with a double underscore:
+
+    >>> pdbsearch.search(limit=5, citation__rcsb_authors="Sula, A.")
+    ['4CAH', '4CAI', '4X8A', '4X88', '4X89']
+
+If you use more than one term, they will be combined with AND operators:
+
+    >>> pdbsearch.search(limit=5, ligand_name="ZN", atoms__within=[200, 300])
+    ['3WUP', '3ZNF', '2YTA', '2YTB', '2YSV']
 
 Changelog
 ---------
 
+Release 0.3.0
+~~~~~~~~~~~~~
+
+`29 May 2021`
+
+* Added search criteria.
+* Added AND chaining for search criteria.
+
+
 Release 0.2.0
 ~~~~~~~~~~~~~
 

diff --git a/docs/source/changelog.rst b/docs/source/changelog.rst
@@ -1,6 +1,15 @@
 Changelog
 ---------
 
+Release 0.3.0
+~~~~~~~~~~~~~
+
+`29 May 2021`
+
+* Added search criteria.
+* Added AND chaining for search criteria.
+
+
 Release 0.2.0
 ~~~~~~~~~~~~~
 

diff --git a/docs/source/index.rst b/docs/source/index.rst
@@ -8,9 +8,9 @@ Example
 -------
 
     >>> import pdbsearch
-    >>> codes = pdbsearch.search(limit=5)
+    >>> codes = pdbsearch.search(limit=5, ligand_name="CU")
     >>> codes
-    ['4CD7', '4CCW', '4CD8', '4CCX', '4CCY']
+    ['3HW7', '2WKO', '2WOF', '2WOH', '2WO0']
 
 Table of Contents
 -----------------

diff --git a/docs/source/overview.rst b/docs/source/overview.rst
@@ -39,5 +39,30 @@ You can sort by multiple criteria:
     >>> pdbsearch.search(limit=5, sort=["-atoms", "released"])
     ['1ANP', '6UOU', '6UOW', '1Q7O', '6QTF']
 
+Search Criteria
+~~~~~~~~~~~~~~~
 
+You can search by passing keywords to the search function:
 
+    >>> pdbsearch.search(limit=5, ligand_name="ZN")
+    ['3HW7', '3I7I', '3I7G', '2WFX', '2WGT']
+
+You can modify the operator used with double underscores:
+
+    >>> pdbsearch.search(limit=5, ligand_name__in=["ZN", "CU"])
+    ['3HW7', '3I7I', '3I7G', '2WFX', '2WGT']
+    >>> pdbsearch.search(limit=5, resolution__lt=2)
+    ['3HW3', '3I83', '3HVS', '3HW4', '3HW5']
+    >>> pdbsearch.search(limit=5, atoms__within=[200, 300])
+    ['2WH9', '2WPY', '395D', '396D', '2X8Q']
+
+These are some shorthands, but you can search by any of the terms in the above
+linked list by replacing the dot with a double underscore:
+
+    >>> pdbsearch.search(limit=5, citation__rcsb_authors="Sula, A.")
+    ['4CAH', '4CAI', '4X8A', '4X88', '4X89']
+
+If you use more than one term, they will be combined with AND operators:
+
+    >>> pdbsearch.search(limit=5, ligand_name="ZN", atoms__within=[200, 300])
+    ['3WUP', '3ZNF', '2YTA', '2YTB', '2YSV']