fix(topspin): improve parsing of TopSpin parameter files with array support

rewrite the parameter parsing logic to properly handle array parameters declared with (start..end) syntax, fix comment line skipping, and add better value type conversion for both scalar and array values

Author: nmrtist

nmrkit/io/formats/topspin.py

@@ -166,27 +166,74 @@ def _parse_acqus_file(self, filepath: str) -> Dict[str, any]:
         params = {}
 
         with open(filepath, "r") as f:
-            content = f.read()
-
-        # Parse parameters using regex
-        parameter_pattern = r"\$(\w+)=(.*)\n"
-        matches = re.findall(parameter_pattern, content)
-
-        for key, value in matches:
-            # Clean up value
-            value = value.strip()
-
-            # Try to convert to appropriate type
-            try:
-                # Try integer first
-                params[key] = int(value)
-            except ValueError:
+            lines = f.readlines()
+
+        i = 0
+        while i < len(lines):
+            line = lines[i].strip()
+            
+            # Skip comment lines and non-parameter lines
+            if not line.startswith("##$"):
+                i += 1
+                continue
+            
+            # Parse parameter name and value
+            match = re.match(r"##\$(\w+)=(.*)", line)
+            if not match:
+                i += 1
+                continue
+                
+            key = match.group(1)
+            value = match.group(2).strip()
+            
+            # Check if this is an array declaration (e.g., "(0..63)")
+            array_match = re.match(r"\((\d+)\.\.(\d+)\)", value)
+            if array_match:
+                # This is an array, read subsequent lines for array values
+                start_idx = int(array_match.group(1))
+                end_idx = int(array_match.group(2))
+                array_size = end_idx - start_idx + 1
+                
+                array_values = []
+                i += 1
+                
+                # Read subsequent lines until we hit another parameter or run out of values
+                while i < len(lines) and len(array_values) < array_size:
+                    next_line = lines[i].strip()
+                    if next_line.startswith("##"):
+                        break
+                    
+                    # Parse space-separated values
+                    values = next_line.split()
+                    for val in values:
+                        if len(array_values) < array_size:
+                            # Try to convert to appropriate type
+                            try:
+                                array_values.append(int(val))
+                            except ValueError:
+                                try:
+                                    array_values.append(float(val))
+                                except ValueError:
+                                    array_values.append(val)
+                    i += 1
+                
+                params[key] = array_values
+            else:
+                # Single value parameter
+                # Clean up value (remove angle brackets for string values)
+                if value.startswith("<") and value.endswith(">"):
+                    value = value[1:-1]
+                
+                # Try to convert to appropriate type
                 try:
-                    # Try float next
-                    params[key] = float(value)
+                    params[key] = int(value)
                 except ValueError:
-                    # Leave as string if conversion fails
-                    params[key] = value
+                    try:
+                        params[key] = float(value)
+                    except ValueError:
+                        params[key] = value
+                
+                i += 1
 
         return params