small changes in Parameters class and new test

src/bmctool/parameters/Parameters.py

@@ -42,10 +42,13 @@ def __eq__(self, other: object) -> bool:
         """Check if two Parameters instances are equal."""
         if not isinstance(other, self.__class__):
             return NotImplemented
+        # Todo: check if cest_pool comparison is correct and add test(s)
         if self.__slots__ == other.__slots__:
             return (
                 self.water_pool == other.water_pool
-                and self.cest_pools == other.cest_pools
+                and all(
+                    self.cest_pools[ii] == other.cest_pools[ii] for ii in range(len(self.cest_pools)) if self.cest_pools
+                )
                 and self.mt_pool == other.mt_pool
                 and self.system == other.system
                 and self.options == other.options
@@ -60,7 +63,7 @@ def num_cest_pools(self) -> int:
     @property
     def mz_loc(self) -> int:
         """Get the location of the water z-magnetization in the BMC matrix."""
-        if not self.water_pool:
+        if not hasattr(self, 'water_pool'):
             raise Exception('No water pool defined. mz_loc cannot be determined')
 
         # mz_loc is 2 for water pool and +2 for each CEST pool
@@ -69,7 +72,7 @@ def mz_loc(self) -> int:
     @property
     def m_vec(self) -> np.ndarray:
         """Get the initial magnetization vector (fully relaxed)."""
-        if not self.water_pool:
+        if not hasattr(self, 'water_pool'):
             raise Exception('No water pool defined. m_vec cannot be determined')
 
         num_full_pools = self.num_cest_pools + 1
@@ -128,9 +131,6 @@ def from_yaml(cls, yaml_file: str | Path) -> Self:
         yaml_file
             Path to yaml config file.
         """
-        if not Path(yaml_file).exists():
-            raise FileNotFoundError(f'File {yaml_file} not found.')
-
         with Path(yaml_file).open() as file:
             config = yaml.safe_load(file)
 

src/bmctool/utils/seq/write.py

@@ -1,4 +1,8 @@
-"""write.py Auxiliary functions for writing seq files."""
+"""Auxiliary functions for writing seq files.
+
+These function are used in the pulseq-cest library to write seq files matching the MATLAB style.
+The pulseq-cest library can be found at: https://github.com/kherz/pulseq-cest-library
+"""
 
 import math
 from datetime import datetime

tests/parameters/test_Parameters.py

@@ -4,6 +4,17 @@
 from bmctool.parameters import Parameters
 
 
+def test_properties_raise_error(valid_parameters_object):
+    """Test that m_vec and mz_loc raise an error if water_pool does not exist."""
+    p = deepcopy(valid_parameters_object)
+    del p.water_pool
+    with pytest.raises(Exception, match='No water pool defined.'):
+        _ = p.mz_loc
+
+    with pytest.raises(Exception, match='No water pool defined.'):
+        _ = p.m_vec
+
+
 def test_init_from_valid_dict(valid_config_dict):
     """Test initialization of the Parameters class from a valid dictionary."""
     p = Parameters.from_dict(valid_config_dict)
@@ -199,3 +210,4 @@ def test_equality(
     assert a == valid_parameters_object
     assert a != b
     assert a != c
+    assert a != 'not a Parameters object'