Added functionality to create list of actions used within plumed inpu…

…t file that can be accessed by function that calls get_html

PlumedToHTML/PlumedFormatter.py

@@ -16,6 +16,7 @@ def __init__(self, **options) :
         self.egname=options["input_name"]
         self.hasload=options["hasload"]
         self.broken=options["broken"]
+        self.actions=options["actions"]
 
     def format(self, tokensource, outfile):
         action, label, all_labels, keywords, shortcut_state, shortcut_depth, default_state, notooltips, expansion_label = "", "", [], [], 0, 0, 0, False, ""
@@ -163,6 +164,8 @@ def format(self, tokensource, outfile):
             elif ttype==Keyword :
                # Name of action
                action, notooltips = value.strip().upper(), False
+               # Store name of action in set that contains all action names
+               self.actions.add(action)
                if action not in self.keyword_dict : 
                   if self.hasload or self.broken : notooltips = True
                   else : raise Exception("no action " + action + " in dictionary")

PlumedToHTML/PlumedToHTML.py

@@ -26,7 +26,7 @@ def cd(newdir):
     finally:
         os.chdir(prevdir)
 
-def test_and_get_html( inpt, name ) :
+def test_and_get_html( inpt, name, actions=set({}) ) :
     """
         Test if the plumed input is broken and generate the html syntax
 
@@ -51,7 +51,7 @@ def test_and_get_html( inpt, name ) :
     # Now do the test
     broken = test_plumed( "plumed", filename, header="", shortcutfile=name + '.json' )
     # Retrieve the html that is output by plumed
-    html = get_html( inpt, name, name, ("master",), (broken,), ("plumed",) )
+    html = get_html( inpt, name, name, ("master",), (broken,), ("plumed",), actions )
     # Remove the tempory files that we created
     if not keepfile : os.remove(filename)
 
@@ -145,7 +145,7 @@ def manage_incomplete_inputs( inpt ) :
        return complete, incomplete
    return inpt, ""
 
-def get_html( inpt, name, outloc, tested, broken, plumedexe ) :
+def get_html( inpt, name, outloc, tested, broken, plumedexe, actions=set({}) ) :
     """
        Generate the html representation of a PLUMED input file
 
@@ -161,6 +161,7 @@ def get_html( inpt, name, outloc, tested, broken, plumedexe ) :
        tested -- The versions of plumed that were testd
        broken -- The outcome of running test plumed on the input
        plumedexe -- The plumed executibles that were used.  The first one is the one that should be used to create the input file annotations
+       actions -- Set to store all the actions that have been used in the input
     """
 
     # If we find the fill command then split up the input file to find the solution
@@ -193,7 +194,7 @@ def get_html( inpt, name, outloc, tested, broken, plumedexe ) :
     plumed_info = subprocess.run(cmd, capture_output=True, text=True ) 
     keyfile = plumed_info.stdout.strip() + "/json/syntax.json"
     formatfile = os.path.join(os.path.dirname(__file__),"PlumedFormatter.py")
-    plumed_formatter = load_formatter_from_file(formatfile, "PlumedFormatter", keyword_file=keyfile, input_name=name, hasload=found_load, broken=any(broken) )
+    plumed_formatter = load_formatter_from_file(formatfile, "PlumedFormatter", keyword_file=keyfile, input_name=name, hasload=found_load, broken=any(broken), actions=actions )
 
     # Now generate html of input
     html = '<div style="width: 100%; float:left">\n'

PlumedToHTML/tests/test_code.py

@@ -14,12 +14,14 @@ def testBasicOutput(self) :
        # Now run over all the inputs in the json
        for item in tests["regtests"] :
            with self.subTest(item=item):
-                out = PlumedToHTML.test_and_get_html( item["input"], "plinp" + str(item["index"]) )
+                actions = set({})
+                out = PlumedToHTML.test_and_get_html( item["input"], "plinp" + str(item["index"]), actions=actions )
                 print( item["input"] )
+                print( actions, item["actions"] )
                 data = {}
                 data["out"] = out
                 print( json.dumps( data, indent=3 ) )
-                self.assertTrue( out==item["output"] )
+                self.assertTrue( out==item["output"] and actions==set(item["actions"]) )
 
    def testHeader(self) :
        headerfilename = os.path.join(os.path.dirname(__file__),"../assets/header.html")

PlumedToHTML/tests/test_formatter.py

@@ -20,7 +20,7 @@ def testSimple(self) :
        keyfile = plumed_info.stdout.strip() + "/json/syntax.json"
 
        # Setup a plumed formatter
-       f = PlumedFormatter( keyword_file=keyfile, input_name="testout", hasload=False, broken=False )
+       f = PlumedFormatter( keyword_file=keyfile, input_name="testout", hasload=False, broken=False, actions=set({}) )
 
        # Now run over all the inputs in the json
        for item in tests["regtests"] :

setup.py

@@ -6,7 +6,7 @@
 
 setuptools.setup(
      name='PlumedToHTML',  
-     version='0.52',
+     version='0.53',
      author="Gareth Tribello",
      author_email="[email protected]",
      description="A package for creating pretified HTML for PLUMED files",