Merge pull request #205 from DimitriPapadopoulos/f-strings

Use f-strings where possible

examples/fitting_data/t1_measurements/pt.py

@@ -40,5 +40,5 @@ def fit_func(p, x):
     ax.set_title(peak)
 
     # save the figure
-    fig.savefig(peak + "_plot.png")
+    fig.savefig(f"{peak}_plot.png")
     plt.close()

examples/plotting/plot_2d/plot_boxes.py

@@ -56,5 +56,5 @@
     ax.set_title(name)
 
     # save the figure
-    fig.savefig(name + ".png")
+    fig.savefig(f"{name}.png")
     del(fig)

examples/plotting/plot_sparky_savefile/plot_sparky.py

@@ -82,7 +82,7 @@ def plot(dic, data, outfile=None, xlims=[], ylims=[]):
     # save figure
     if outfile is None:
         outfile = "plot"
-    fig.savefig(outfile + ".png")
+    fig.savefig(f"{outfile}.png")
 
     return
 

nmrglue/analysis/linesh.py

@@ -496,8 +496,7 @@ def fit_NDregion(region, lineshapes, params, amps, bounds=None,
     if wmask is None:   # default is to include all points in region
         wmask = np.ones(shape, dtype='bool')
     if wmask.shape != shape:
-        err = "wmask has incorrect shape:" + str(wmask.shape) +   \
-              " should be " + str(shape)
+        err = f"wmask has incorrect shape: {wmask.shape} should be {shape}"
         raise ValueError(err)
 
     # DEBUGGING

nmrglue/analysis/peakpick.py

@@ -326,13 +326,13 @@ def pack_table(locations, cluster_ids=None, scales=None, amps=None,
     ndim = len(locations[0])
     anames = axis_names[-ndim:]
 
-    dt = [(a + "_AXIS", float) for a in anames]
+    dt = [(f"{a}_AXIS", float) for a in anames]
     rec = np.rec.array(locations, dtype=dt)
 
     if cluster_ids is not None:
         rec = table.append_column(rec, cluster_ids, 'cID', 'int')
     if scales is not None:
-        names = [a + "_LW" for a in anames]
+        names = [f"{a}_LW" for a in anames]
         for n, c in zip(names, np.array(scales).T):
             rec = table.append_column(rec, c, n, 'float')
     if amps is not None:

nmrglue/fileio/bruker.py

@@ -111,8 +111,8 @@ def add_axis_to_udic(udic, dic, udim, strip_fake):
     """
     # This could still use some work
     b_dim = udic['ndim'] - udim - 1  # last dim
-    acq_file = "acqu" + str(b_dim + 1) + "s"
-    pro_file = "proc" + str(b_dim + 1) + "s"
+    acq_file = f"acqu{b_dim + 1}s"
+    pro_file = f"proc{b_dim + 1}s"
 
     # Because they're inconsistent,..
     if acq_file == "acqu1s":
@@ -1570,7 +1570,7 @@ def read_binary(filename, shape=(1), cplex=True, big=True, isfloat=False):
         return dic, data.reshape(shape)
 
     except ValueError:
-        warn(str(data.shape) + "cannot be shaped into" + str(shape))
+        warn(f"{data.shape} cannot be shaped into {shape}")
         return dic, data
 
 
@@ -2193,9 +2193,9 @@ def read_jcamp(filename, encoding=locale.getpreferredencoding()):
                     key, value = parse_jcamp_line(line, f)
                     dic[key] = value
                 except:
-                    warn("Unable to correctly parse line:" + line)
+                    warn(f"Unable to correctly parse line: {line}")
             else:
-                warn("Extraneous line:" + line)
+                warn(f"Extraneous line: {line}")
 
     return dic
 
@@ -2216,7 +2216,7 @@ def parse_jcamp_line(line, f):
 
     if "<" in text:   # string
         while ">" not in text:      # grab additional text until ">" in string
-            text = text + "\n" + f.readline().rstrip()
+            text += "\n" + f.readline().rstrip()
         value = text[1:-1]  # remove < and >
 
     elif "(" in text:   # array
@@ -2341,24 +2341,24 @@ def write_jcamp_pair(f, key, value):
     """
 
     # the parameter name and such
-    line = "##$" + key + "= "
+    line = f"##${key}= "
 
-    # need to be type not isinstance since isinstance(bool, int) == True
-    if type(value) == float or type(value) == int:  # simple numbers
-        line = line + repr(value)
-
-    elif isinstance(value, str):    # string
-        line = line + "<" + value + ">"
-
-    elif type(value) == bool:   # yes or no
+    # need to be checked first since isinstance(bool, int) == True
+    if isinstance(value, bool):  # yes or no
         if value:
-            line = line + "yes"
+            line += "yes"
         else:
-            line = line + "no"
+            line += "no"
+
+    elif isinstance(value, (float, int)):  # simple numbers
+        line += repr(value)
+
+    elif isinstance(value, str):  # string
+        line += f"<{value}>"
 
     elif isinstance(value, list):
         # write out the current line
-        line = line + "(0.." + repr(len(value) - 1) + ")"
+        line += f"(0..{len(value) - 1!r})"
         f.write(line)
         f.write("\n")
         line = ""
@@ -2373,7 +2373,7 @@ def write_jcamp_pair(f, key, value):
                 line = ""
 
             if isinstance(v, str):
-                to_add = "<" + v + ">"
+                to_add = f"<{v}>"
             else:
                 to_add = repr(v)
 
@@ -2383,7 +2383,7 @@ def write_jcamp_pair(f, key, value):
                 line = ""
 
             if line != "":
-                line = line + to_add + " "
+                line += to_add + " "
             else:
                 line = to_add + " "
 
@@ -2582,20 +2582,20 @@ def write_pprog(filename, dic, overwrite=False):
 
     # write our the variables
     for k, v in dic["var"].items():
-        f.write("\"" + k + "=" + v + "\"\n")
+        f.write(f'"{k}={v}"\n')
 
     # write out each loop
     for i, steps in enumerate(dic["loop"]):
 
         # write our the increments
         for v in dic["incr"][i]:
-            f.write("d01 id" + str(v) + "\n")
+            f.write(f"d01 id{v}\n")
 
         # write out the phases
         for v, w in zip(dic["phase"][i], dic["ph_extra"][i]):
-            f.write("d01 ip" + str(v) + " " + str(w) + "\n")
+            f.write(f"d01 ip{v} {w}\n")
 
-        f.write("lo to 0 times " + str(steps) + "\n")
+        f.write(f"lo to 0 times {steps}\n")
 
     # close the file
     f.close()

nmrglue/fileio/convert.py

@@ -467,7 +467,7 @@ def to_csdm(self):
                     label=value["label"],
                 )
                 for key, value in list(self._udic.items())
-                if type(key) == int and value["size"] != 1
+                if type(key) is int and value["size"] != 1
             ]
 
             return cp.CSDM(

nmrglue/fileio/glue.py

@@ -155,7 +155,7 @@ def put_dic(f, dic, dataset="spectrum"):
     for key, value in dic.items():
 
         # axis dictionaries
-        if type(key) == int and type(value) == dict:
+        if type(key) is int and type(value) is dict:
             axis = key
             for axiskey, axisvalue in value.items():
                 fullkey = str(axis) + "_" + axiskey

nmrglue/fileio/jcampdx.py

@@ -72,7 +72,7 @@ def _parsejcampdx(filename):
         # for multi-line data, linebreak must be restored if it has been
         # cut out with comments:
         if actual[-1] != "\n":
-            actual = actual + "\n"
+            actual += "\n"
 
         # encountered new key:
         if actual[:2] == "##":
@@ -85,7 +85,7 @@ def _parsejcampdx(filename):
                 key = _getkey(currentkey)
                 value = "".join(currentvaluestrings)  # collapse
                 if not value.strip():
-                    warn("JCAMP-DX key without value:" + key)
+                    warn(f"JCAMP-DX key without value: {key}")
                 else:
                     try:
                         activeblock[key].append(value)
@@ -121,7 +121,7 @@ def _parsejcampdx(filename):
                 keystr = keysplit[0][2:]  # remove "##" already here
                 valuestr = keysplit[1]
                 if not keystr:
-                    warn("Empty key in JCAMP-DX line:" + line)
+                    warn(f"Empty key in JCAMP-DX line: {line}")
                     currentkey = None
                     currentvaluestrings = []
                     continue
@@ -134,7 +134,7 @@ def _parsejcampdx(filename):
         else:
             if activeblock:
                 if currentkey is None:
-                    warn("JCAMP-DX data line without associated key:" + line)
+                    warn(f"JCAMP-DX data line without associated key: {line}")
                     continue
 
                 currentvaluestrings.append(commentsplit[0])
@@ -272,7 +272,7 @@ def _parse_affn_pac(datalines):
             try:
                 value = float(base + (exp if exp is not None else ""))
             except ValueError:
-                warn("Data parsing failed at line:" + dataline)
+                warn(f"Data parsing failed at line: {dataline}")
                 return None
             linedata.append(value)
         if len(linedata) > 1:
@@ -375,8 +375,7 @@ def _parse_pseudo(datalines):
                         valuechar = _DUP_DIGITS[char]
                         newmode = 3
                     except KeyError:
-                        warn("Unknown pseudo-digit: " +
-                             char + " at line: " + dataline)
+                        warn(f"Unknown pseudo-digit: {char} at line: {dataline}")
                         return None
 
             # finish previous number
@@ -399,7 +398,7 @@ def _parse_pseudo(datalines):
                                                          value_to_append,
                                                          data)
                 if not success:
-                    warn("Data parsing failed at line:" + dataline)
+                    warn(f"Data parsing failed at line: {dataline}")
                     return None
 
             # in DIF mode last of line is same than the first of next line

nmrglue/fileio/rnmrtk.py

@@ -738,7 +738,7 @@ def write_par(par_file, dic, overwrite):
     f = fileiobase.open_towrite(par_file, overwrite, mode='w')
 
     # write comment line
-    f.write('Comment \'' + dic['comment'] + '\'\n')
+    f.write("Comment '" + dic['comment'] + "'\n")
 
     # Dom line, set from layout
     l = "Dom " + " ".join(dic['layout'][1])

nmrglue/fileio/table.py

@@ -34,7 +34,7 @@ def pipe2glue(pcomments, pformat, rec):
 
     """
     # add a "#" to the list of comments and we are done
-    comments = ["# " + c for c in pcomments]
+    comments = [f"# {c}" for c in pcomments]
     return comments, rec
 
 
@@ -62,7 +62,7 @@ def glue2pipe(comments, rec):
 
     """
     # add REMARK to each comment
-    pcomments = ["REMARK " + c for c in comments]
+    pcomments = [f"REMARK {c}" for c in comments]
 
     # guess the pipe format strings
     pformat = [guess_pformat(rec[t]) for t in rec.dtype.names]

nmrglue/fileio/varian.py

@@ -504,8 +504,8 @@ def find_torder(dic, shape):
             warn("missing phase order, torder set to 'r'")
             return 'r'
 
-    warn("No trace ordering for" + str(ndim) +
-         "dimensional data, torder set to 'r'")
+    warn(f"No trace ordering for {ndim}dimensional data, "
+         f"torder set to 'r'")
     return 'r'
 
 
@@ -523,7 +523,7 @@ def torder2i2t(torder):
     elif torder in ('regular', 'r'):
         return fileiobase.index2trace_reg
     else:
-        raise ValueError("unknown torder" + str(torder))
+        raise ValueError(f"unknown torder {torder}")
 
 
 def torder2t2i(torder):
@@ -539,7 +539,7 @@ def torder2t2i(torder):
     elif torder in ('regular', 'r'):
         return fileiobase.trace2index_reg
     else:
-        raise ValueError("unknown torder" + str(torder))
+        raise ValueError(f"unknown torder {torder}")
 
 
 def reorder_data(data, shape, torder):
@@ -571,7 +571,7 @@ def reorder_data(data, shape, torder):
         try:
             data = data.reshape(shape)
         except ValueError:
-            warn(str(data.shape) + "cannot be shaped into" + str(shape))
+            warn(f"{data.shape} cannot be shaped into {shape}")
         return data
 
     # all other cases
@@ -716,14 +716,14 @@ def read_fid(filename, shape=None, torder='flat', as_2d=False,
         try:
             return dic, reorder_data(data, shape, torder)
         except:
-            warn("data cannot be re-ordered, returning raw 2D data\n" +
-                 "Provided shape: " + str(shape) + " torder: " + str(torder))
+            warn(f"data cannot be re-ordered, returning raw 2D data\n" +
+                 f"Provided shape: {shape} torder: {torder}")
             return dic, data
 
     try:
         data = data.reshape(shape)
     except ValueError:
-        warn(str(data.shape) + "cannot be shaped into" + str(shape))
+        warn(f"{data.shape} cannot be shaped into {shape}")
         return dic, data
 
     return dic, data
@@ -858,7 +858,7 @@ def read_fid_ntraces(filename, shape=None, torder='flat', as_2d=False,
     try:
         data = data.reshape(shape)
     except ValueError:
-        warn(str(data.shape) + "cannot be shaped into" + str(shape))
+        warn(f"{data.shape} cannot be shaped into {shape}")
         return dic, data
 
     return dic, data
@@ -942,7 +942,7 @@ def write_fid(filename, dic, data, torder='flat', repack=False, correct=True,
     else:   # create a generic blockheader
         bh = dic2blockheader(make_blockheader(dic, 1))
         for i in range(data.shape[0]):
-            bh[2] = int(i + 1)
+            bh[2] = i + 1
             trace = np.array(interleave_data(data[i]), dtype=dt)
             put_block(f, trace, dic["nbheaders"], bh)
 
@@ -1027,7 +1027,7 @@ def write_fid_lowmem(filename, dic, data, torder='f', repack=False,
     else:   # create a generic blockheader
         bh = dic2blockheader(make_blockheader(dic, 1))
         for ntrace in range(nblocks):
-            bh[2] = int(ntrace + 1)
+            bh[2] = ntrace + 1
             tup = t2i(data.shape[:-1], ntrace)
             trace = np.array(interleave_data(data[tup]), dtype=dt)
             put_block(f, trace, dic["nbheaders"], bh)
@@ -1949,7 +1949,7 @@ def write_procpar(filename, dic, overwrite=False):
             print(len(d["values"]), end=' ', file=f)  # don't end the line
             for value in d["values"]:
                 # now end the line (for each string)
-                print('"' + value + '"', file=f)
+                print(f'"{value}"', file=f)
 
         # print out the last line
         print(d["enumerable"], end=' ', file=f)
@@ -1959,7 +1959,7 @@ def write_procpar(filename, dic, overwrite=False):
                 if d["basictype"] == "1":  # reals
                     print(e, end=' ', file=f)
                 elif d["basictype"] == "2":  # strings
-                    print('"' + e + '"', end=' ', file=f)
+                    print(f'"{e}"', end=' ', file=f)
         print("", file=f)   # end the enumerable line
 
     f.close()