2.0.1 release (libnano#124)

* Missing space in change-log * fix ``todict`` method of ``Thermoanalysis`` and add unit test coverage (libnano#123) * version bump to 2.0.1 + release notes update --------- Co-authored-by: Peter Cock <[email protected]>
grinner · Sep 19, 2023 · 102ae1c · 102ae1c
1 parent 83018cd
commit 102ae1c
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diff --git a/CHANGES b/CHANGES
@@ -1,12 +1,16 @@
 # Changelog
 
+## Version 2.0.1 (September 18, 2023)
+
+- Fixed bug in `todict` method of `ThermoAnalysis`
+
 ## Version 2.0.0 (May 30, 2023)
 
 - Migrated primer3 header file Cython extern imports to `thermoanalysis.pxi`
 - Optional C structure string argument `c_ascii_structure` added to `_ThermoAnalysis` methods to enable 3rd party use for structures
 - Version bump to 2.0.0 due to breaking change
 - Fix issue whereby no_structure is not correctly 1 set to 1 when no secondary structure in found
-- Add list version of `PRIMER_{PAIR, LEFT, RIGHT, INTERNAL}` to design output dictionary keys.Retaining original keys as well for compatibility.
+- Add list version of `PRIMER_{PAIR, LEFT, RIGHT, INTERNAL}` to design output dictionary keys. Retaining original keys as well for compatibility.
 - Fix for  missing `thal_result.sec_struct` and `dpal_results.sec_struct` initialization to `NULL` in `recalc_primer_sec_struct`
 
 ## Version 1.2.2 (May 16, 2023)

diff --git a/primer3/__init__.py b/primer3/__init__.py
@@ -26,7 +26,7 @@
 from typing import List
 
 # Per PEP-440 https://peps.python.org/pep-0440/#public-version-identifiers
-__version__ = '2.0.0'
+__version__ = '2.0.1'
 __author__ = 'Ben Pruitt, Nick Conway'
 __copyright__ = (
     'Copyright 2014-2023, Ben Pruitt & Nick Conway; 2014-2018 Wyss Institute'

diff --git a/primer3/thermoanalysis.pyx b/primer3/thermoanalysis.pyx
@@ -548,7 +548,7 @@ cdef class _ThermoAnalysis:
         representation.
 
         '''
-        return self._salt_correction_method
+        return self._salt_correction_methods_int_dict[self._salt_correction_method]
 
     @salt_correction_method.setter
     def salt_correction_method(self, value: Union[int, str]):
@@ -1082,7 +1082,7 @@ cdef class _ThermoAnalysis:
             'dv_conc':      self.dv_conc,
             'dntp_conc':    self.dntp_conc,
             'dna_conc':     self.dna_conc,
-            'temp_c':       self.temp,
+            'temp_c':       self.temp_c,
             'max_loop':     self.max_loop,
             # 'temp_only':    self.temp_only,
             # 'debug':        self.thalargs.debug,

diff --git a/tests/test_thermoanalysis.py b/tests/test_thermoanalysis.py
@@ -34,7 +34,10 @@
 except (ImportError, ModuleNotFoundError):  # For Windows compatibility
     resource = None  # type: ignore
 
-from primer3 import bindings
+from primer3 import (
+    bindings,
+    thermoanalysis,
+)
 
 from . import wrappers
 
@@ -409,6 +412,24 @@ def test_memory_leaks(self):
                 f'\n\t memory leak (mem increase: {em - sm})',
             )
 
+    def test_todict(self):
+        '''Unit test coverage for ``Thermoanalysis.todict``'''
+        args = {
+            'mv_conc': 51.0,
+            'dv_conc': 1.7,
+            'dntp_conc': 0.5,
+            'dna_conc': 52.0,
+            'temp_c': 36.0,
+            'max_loop': 31,
+            'max_nn_length': 61,
+            'tm_method': 'santalucia',
+            'salt_correction_method': 'santalucia',
+        }
+        ta = thermoanalysis.ThermoAnalysis(**args)
+        dict_out = ta.todict()
+        for k, v in args.items():
+            assert v == dict_out[k]
+
 
 def suite():
     '''Define the test suite'''