rewrite/modernise nist.py.

I think the NIST_URL is no longer operational, but manual downloading and passing the filename works.

Author: rieder

src/amuse/units/nist.py

@@ -1,3 +1,5 @@
+import sys
+
 import urllib.request, urllib.error, urllib.parse, urllib.request, urllib.parse, urllib.error
 import difflib
 import os.path
@@ -9,18 +11,18 @@
 from amuse.units import derivedsi
 
 NIST_URL = "http://132.229.222.6:9000/nistdata"
-MESSAGE = \
-"""
-#This is an auto generated file, do not change manually. Instead if you want to add constants
-#or change them, change the nist.txt file and run nist.py
+MESSAGE = """\"\"\"
+Physical constants
+\"\"\"
+# This is an auto generated file, do not change manually. Instead if you want
+# to add constants or change them, change the nist.txt file and run nist.py
 
 import numpy
-from amuse.units.si import *
-from amuse.units.derivedsi import *
+from amuse.units.si import m, kg, s, A, K, mol, none
+from amuse.units.derivedsi import Hz, MHz, sr, N, Pa, J, W, F, C, V, T, ohm, S, Wb
 
 """
-ADDITIONAL_DERIVED_CONSTANTS = \
-"""
+ADDITIONAL_DERIVED_CONSTANTS = """
 pi = numpy.pi
 hbar = h / (2.0 * numpy.pi)
 four_pi_stefan_boltzmann = 4.0 * numpy.pi * Stefan_hyphen_Boltzmann_constant
@@ -31,9 +33,12 @@
 eps = numpy.finfo(numpy.double).eps
 precision = int(numpy.log10(2/eps))
 """
-class GetConstantsFromFiles(object):
-    
-    def __init__(self):
+
+
+class GetConstantsFromFiles:
+
+    def __init__(self, filename="nist.txt"):
+        self.nist_filename = filename
         self.nist_table = ""
         self.local_table = ""
         self.translator_table = []
@@ -45,157 +50,213 @@ def get_table_from_url(self):
         f.close()
 
     def save_table_as(self, filename):
-        f = open(os.path.join(self.directory, 'nist.txt'), 'w')
+        f = open(os.path.join(self.directory, self.nist_filename), "w")
         f.write(self.nist_table)
         f.close()
-     
+
     def get_table_from_file(self):
-        f = open(os.path.join(self.directory, 'nist.txt'), 'r') # CODATA 2006, for CODATA 2010 use 'nist2010.txt'
-        self.nist_table = f.read()                             
-        f.close()                                    
+        f = open(
+            os.path.join(self.directory, self.nist_filename), "r"
+        )  # CODATA 2006, for CODATA 2010 use 'nist2010.txt'
+        self.nist_table = f.read()
+        f.close()
 
     def check_current_file_with_table(self):
-        md5sum_local = md5()                         
-        md5sum_local.update(self.local_table)              
-        md5sum_local_val = md5sum_local.hexdigest()  
-        md5sum_wgot = md5()                          
-        md5sum_wgot.update(self.nist_table)          
-        md5sum_wgot_val = md5sum_wgot.hexdigest()    
-        return md5sum_local_val == md5sum_wgot_val   
+        md5sum_local = md5()
+        md5sum_local.update(self.local_table)
+        md5sum_local_val = md5sum_local.hexdigest()
+        md5sum_wgot = md5()
+        md5sum_wgot.update(self.nist_table)
+        md5sum_wgot_val = md5sum_wgot.hexdigest()
+        return md5sum_local_val == md5sum_wgot_val
 
     def compare_char_by_char(self):
 
-        self.nist_table.lstrip('\n')
-        mydiff = difflib.unified_diff(self.nist_table.splitlines(1), self.local_table.splitlines(1))
+        self.nist_table.lstrip("\n")
+        mydiff = difflib.unified_diff(
+            self.nist_table.splitlines(1), self.local_table.splitlines(1)
+        )
         for i in list(mydiff):
             print(i)
-            
+
     def get_translator(self):
-        f = open(os.path.join(self.directory, 'translator.txt'), 'r')     
+        f = open(os.path.join(self.directory, "translator.txt"), "r")
         lines = f.readlines()
 
         for i, s in enumerate(lines):
-            cols = s.split(',')
+            cols = s.split(",")
             self.translator_table.append(cols)
 
-        f.close()         
+        f.close()
+
 
-class Constants(object):
-    def __init__(self):
-        self.I = GetConstantsFromFiles()
-        #I.get_table_from_url()
+class Constants:
+    def __init__(self, filename="nist.txt"):
+        self.I = GetConstantsFromFiles(filename=filename)
+        # I.get_table_from_url()
         self.I.get_table_from_file()
         self.table = self.I.nist_table
         self.I.get_translator()
         self.translator = self.I.translator_table
         self.nistfile = MESSAGE
-        
+
         self.nisttable = []
         self.nisttablederivedunits = []
         self.nisttablenoneunits = []
         self.nisttablebaseunits = []
         self.nisttabledependingunits = []
 
-        self.siunits = dir(si)+dir(derivedsi)
-        
+        self.siunits = dir(si) + dir(derivedsi)
+
     def test_regexp(self, regexp):
-        lines =self.table.splitlines(1)
-        for i,line in enumerate(lines):
-            if i>80:
+        lines = self.table.splitlines(1)
+        for i, line in enumerate(lines):
+            if i > 80:
                 break
             print(re.findall(regexp, line))
 
     def translate(self, to_translate):
         list = [s[1] for s in self.translator if to_translate == s[0]]
         if list == []:
-            return to_translate.lstrip(' ')
+            return to_translate.lstrip(" ")
         else:
-            return list[0].strip('\n')
+            return list[0].strip("\n")
 
     def list_constants(self):
-        error =[]
+        error = []
         value = []
         name = []
         unit = []
 
-        lines =self.table.splitlines(1)
+        lines = self.table.splitlines(1)
         for n, line in enumerate(lines):
             if "----------------------" in line:
                 number_of_header_lines = n + 1
                 break
         firstline = lines[number_of_header_lines]
-        namestr_length = len(firstline) - len(firstline[firstline.find("   "):].lstrip())
-        column_index_of_uncertainty = len(firstline) - len(firstline[namestr_length+21+firstline[namestr_length+21:].find(" "):].lstrip())
-        column_index_of_unit = len(firstline) - len(firstline[column_index_of_uncertainty+21+firstline[column_index_of_uncertainty+21:].find(" "):].lstrip())
+        print()
+        print(firstline)
+        namestr_length = len(firstline) - len(
+            firstline[firstline.find("   ") :].lstrip()
+        )
+        column_index_of_uncertainty = len(firstline) - len(
+            firstline[
+                namestr_length + 21 + firstline[namestr_length + 21 :].find(" ") :
+            ].lstrip()
+        )
+        column_index_of_unit = len(firstline) - len(
+            firstline[
+                column_index_of_uncertainty
+                + 21
+                + firstline[column_index_of_uncertainty + 21 :].find(" ") :
+            ].lstrip()
+        )
         for i in lines[number_of_header_lines:]:
             namestr = i[0:namestr_length]
 
             marker1 = column_index_of_uncertainty
             marker2 = column_index_of_unit
 
             while 1:
-                if i[marker1-1]=='\x20':
+                if i[marker1 - 1] == "\x20":
                     break
                 else:
-                    marker1+=1
+                    marker1 += 1
             while 1:
-                if i[marker2-1]=='\x20':
+                try:
+                    if i[marker2 - 1] == "\x20":
+                        break
+                    else:
+                        marker2 += 1
+                except:
                     break
-                else:
-                    marker2+=1
+                    # print(f"i (length {len(i)}): {i}")
+                    # print(f"marker2: {marker2}")
+                    # sys.exit()
 
-            nrs=[]
+            nrs = []
             nrs.append(i[namestr_length:marker1])
             nrs.append(i[marker1:marker2])
             unitstr = i[marker2:]
-                
-            unitstr = unitstr.strip().replace(' ','*').replace('^','**')
 
-            new_name = self.translate(namestr.rstrip(' ').replace(' ','_').replace('.','').replace('{','X').replace('}','X').replace('(','X').replace(')','X').replace('-','_hyphen_').replace(',','_and_').replace('/','_div_'))
-            error.append(nrs[1].replace(' ',''))
-            if len(unitstr)==1:
+            unitstr = unitstr.strip().replace(" ", " * ").replace("^", "**")
+
+            new_name = self.translate(
+                namestr.rstrip(" ")
+                .replace(" ", "_")
+                .replace(".", "")
+                .replace("{", "X")
+                .replace("}", "X")
+                .replace("(", "X")
+                .replace(")", "X")
+                .replace("-", "_hyphen_")
+                .replace(",", "_and_")
+                .replace("/", "_div_")
+            )
+            error.append(nrs[1].replace(" ", ""))
+            if len(unitstr) == 1:
                 this_unit = "none\n"
             else:
                 this_unit = unitstr
 
-            self.nisttable.append([new_name, float(i[namestr_length:marker1].replace(' ','').replace('...','')), unitstr])
+            self.nisttable.append(
+                [
+                    new_name,
+                    float(
+                        i[namestr_length:marker1].replace(" ", "").replace("...", "")
+                    ),
+                    unitstr,
+                ]
+            )
 
     def sort_units(self):
         for entry in self.nisttable:
             if entry[2] in self.siunits:
                 self.nisttablebaseunits.append(entry)
-            elif entry[2] == '':
+            elif entry[2] == "":
                 self.nisttablenoneunits.append(entry)
-            elif set(re.split('[*/^]',re.sub('\*\*-?[0-9.]*','',entry[2]))).issubset(set(self.siunits)):
+            elif set(re.split("[*/^]", re.sub("\*\*-?[0-9.]*", "", entry[2]))).issubset(
+                set(self.siunits)
+            ):
                 self.nisttablederivedunits.append(entry)
             else:
                 self.nisttabledependingunits.append(entry)
-    
+
     def print_list_of_units(self, unitlist):
         for name, value, unit in unitlist:
-            self.nistfile += ("{0} = {1} | {2}\n".format(name, value, unit or "none"))
+            self.nistfile += "{0} = {1} | {2}\n".format(name, value, unit or "none")
 
     def generate_constants(self):
         self.list_constants()
         self.sort_units()
-        self.nistfile +=  "#BASE UNITS***********************************************\n"
+        self.nistfile += "# BASE UNITS***********************************************\n"
         self.print_list_of_units(self.nisttablebaseunits)
-        self.nistfile += "#DERIVED UNITS***********************************************\n"
+        self.nistfile += (
+            "# DERIVED UNITS***********************************************\n"
+        )
         self.print_list_of_units(self.nisttablederivedunits)
-        self.nistfile += "#RATIOS ***********************************************\n"
+        self.nistfile += "# RATIOS ***********************************************\n"
         self.print_list_of_units(self.nisttablenoneunits)
-        self.nistfile += "#DERIVED CONSTANTS***********************************************"
+        self.nistfile += (
+            "# DERIVED CONSTANTS***********************************************"
+        )
         self.nistfile += ADDITIONAL_DERIVED_CONSTANTS
-        self.nistfile += '#DROPPED UNITS***********************************************\n"""'
+        self.nistfile += (
+            '# DROPPED UNITS***********************************************\n"""'
+        )
         self.print_list_of_units(self.nisttabledependingunits)
-        self.nistfile +='"""\n'
+        self.nistfile += '"""\n'
 
-
-        f = open(os.path.join(self.I.directory, 'constants.py'), 'w')
+        f = open(os.path.join(self.I.directory, "constants.py"), "w")
         f.write(self.nistfile)
         f.close()
 
-if __name__  == "__main__":
-    print("Generating constants.py...", end=' ')
-    Constants().generate_constants()
+
+if __name__ == "__main__":
+    if len(sys.argv) > 1:
+        filename = sys.argv[1]
+    else:
+        filename = "nist.txt"
+    print("Generating constants.py...", end=" ")
+    Constants(filename=filename).generate_constants()
     print(" done!")