fix: correctly fix the single peak plot issue with correct plot

Author: stevenhua0320

src/diffpy/srmise/modelevaluators/base.py

@@ -76,7 +76,7 @@ def __lt__(self, other):
         assert self.method == other.method  # Comparison between same types required
         assert self.stat is not None and other.stat is not None  # The statistic must already be calculated
 
-        if self.higher_is_better is not None:
+        if self.higher_is_better:
             return self.stat < other.stat
         else:
             return other.stat < self.stat
@@ -87,7 +87,7 @@ def __le__(self, other):
         assert self.method == other.method  # Comparison between same types required
         assert self.stat is not None and other.stat is not None  # The statistic must already be calculated
 
-        if self.higher_is_better is not None:
+        if self.higher_is_better:
             return self.stat <= other.stat
         else:
             return other.stat <= self.stat
@@ -114,7 +114,7 @@ def __gt__(self, other):
         assert self.method == other.method  # Comparison between same types required
         assert self.stat is not None and other.stat is not None  # The statistic must already be calculated
 
-        if self.higher_is_better is not None:
+        if self.higher_is_better:
             return self.stat > other.stat
         else:
             return other.stat > self.stat
@@ -125,7 +125,7 @@ def __ge__(self, other):
         assert self.method == other.method  # Comparison between same types required
         assert self.stat is not None and other.stat is not None  # The statistic must already be calculated
 
-        if self.higher_is_better is not None:
+        if self.higher_is_better:
             return self.stat >= other.stat
         else:
             return other.stat >= self.stat

src/diffpy/srmise/peaks/gaussian.py

@@ -464,12 +464,12 @@ def max(self, pars):
 
     guesspars = [[2.7, 0.15, 5], [3.7, 0.3, 5]]
     guess_peaks = Peaks([pf.actualize(p, "pwa") for p in guesspars])
-    cluster = ModelCluster(guess_peaks, r, y, err, None, AICc, [pf])
+    cluster = ModelCluster(guess_peaks, None, r, y, err, None, AICc, [pf])
 
     qual1 = cluster.quality()
     print(qual1.stat)
     cluster.fit()
-    yfit = cluster.calc()
+    yfit = cluster.value()
     qual2 = cluster.quality()
     print(qual2.stat)
 

src/diffpy/srmise/peaks/gaussianoverr.py

@@ -539,7 +539,7 @@ def max(self, pars):
     qual1 = cluster.quality()
     print(qual1.stat)
     cluster.fit()
-    yfit = cluster.calc()
+    yfit = cluster.value()
     qual2 = cluster.quality()
     print(qual2.stat)
 

src/diffpy/srmise/peaks/terminationripples.py

@@ -421,7 +421,7 @@ def extend_grid(self, r, dr):
     qual1 = cluster.quality()
     print(qual1.stat)
     cluster.fit()
-    yfit = cluster.valuebl()
+    yfit = cluster.value()
     qual2 = cluster.quality()
     print(qual2.stat)