Merge branch 'master' of github.com:ComPlat/chemotion-converter-app

Author: phuang26

converter_app/readers/__init__.py

@@ -16,6 +16,7 @@
 from .pssession import PsSessionReader
 from .sec import SecReader
 from .sem import SemReader
+from .gcd import GcdReader
 
 logger = logging.getLogger(__name__)
 
@@ -68,3 +69,4 @@ def match_reader(self, file):
 registry.register(SecReader)
 registry.register(AscZipReader)
 registry.register(SemReader)
+registry.register(GcdReader)

converter_app/readers/gcd.py

@@ -0,0 +1,123 @@
+import datetime
+import logging
+import re
+
+from .base import Reader
+
+logger = logging.getLogger(__name__)
+
+
+class GcdReader(Reader):
+    identifier = 'gcd_reader'
+    priority = 5
+
+    _number_of_ch = 0
+
+    def _parse_input(self):
+        current_header = '[NO HEADER]'
+        header_re = re.compile('^\[.+]$')
+        content = {current_header: []}
+        for x in self.file.string.splitlines():
+            if x != '':
+                if header_re.match(x) is not None:
+                    current_header = x
+                    content[x] = []
+                else:
+                    content[current_header].append(x)
+        return content
+
+    def check(self):
+        result = self.file.suffix.lower() == '.txt'
+        if result:
+            self.lines = self._parse_input()
+            result = '[Chromatogram (Ch1)]' in self.lines and '[Compound Results(Ch1)]' in self.lines
+        logger.debug('result=%s', result)
+        return result
+
+    def get_tables(self):
+        tables = []
+        table = self.append_table(tables)
+        time_re = re.compile('\d{1,2}:\d{1,2}:\d{1,2} [AP]M')
+        date_re = re.compile('\d{1,2}/\d{1,2}/\d{4}')
+        datetime_re = re.compile(f'{date_re.pattern}\s{time_re.pattern}')
+        date_read_formate = "%m/%d/%Y"
+        time_read_formate = "%I:%M:%S %p"
+        datetime_read_formate = f"{date_read_formate} {time_read_formate}"
+        date_write_formate = "%d.%m.%Y"
+        time_write_formate = "%H:%M:%S"
+        datetime_write_formate = f"{date_write_formate} {time_write_formate}"
+        for header_key in ['[Header]', '[File Information]', '[Sample Information]', '[Configuration]',
+                           '[Original Files]']:
+            table['header'].append('')
+            table['header'].append(header_key)
+            for line in self.lines.get(header_key, []):
+                table['header'].append(line)
+                key, value = [x.strip() for x in line.split(',', 1)]
+                if datetime_re.match(value) is not None:
+                    value = datetime.datetime.strptime(value, datetime_read_formate).strftime(datetime_write_formate)
+                if time_re.match(value) is not None:
+                    value = datetime.datetime.strptime(value, time_read_formate).strftime(time_write_formate)
+                if date_re.match(value) is not None:
+                    value = datetime.datetime.strptime(value, date_read_formate).strftime(date_write_formate)
+                if key in ['Detector ID', 'Detector Name', '# of Channels']:
+                    if key == '# of Channels':
+                        self._number_of_ch = sum([int(x) for x in value.split(',')])
+                        table['metadata'][key] = str(self._number_of_ch)
+                    for idx, val_item in enumerate(value.split(',')):
+                        table['metadata'][f'{header_key}.{key}.{idx + 1}'] = val_item
+                else:
+                    table['metadata'][f'{header_key}.{key}'] = value
+
+        table['columns'] = []
+        table['rows'] = []
+        table['metadata']['rows'] = str(len(table['rows']))
+        table['metadata']['columns'] = str(len(table['columns']))
+
+
+        for idx in range(self._number_of_ch):
+            header = f"[Compound Results(Ch{idx + 1})]"
+            lines = self.lines[header]
+            key, number_of_ids = [x.strip() for x in lines[0].split(',', 1)]
+            table = self.append_table(tables)
+            table['header'] += lines
+            table['metadata']['Header'] = header
+            table['metadata'][key] = number_of_ids
+            col_names = [x.strip() for x in lines[1].split(',')]
+            for line in lines[2:]:
+                table_entries = line.split(',')
+                table['rows'].append(table_entries)
+                for idx_entry, entry in enumerate(table_entries):
+                    table['metadata'][f"Ch{idx+1}.Id {table_entries[0]}.{col_names[idx_entry]}"] = entry
+
+            table['columns'] = [{
+                'key': str(idx),
+                'name': value
+            } for idx, value in enumerate(col_names)]
+            table['metadata']['rows'] = str(len(table['rows']))
+            table['metadata']['columns'] = str(len(table['columns']))
+
+
+        for idx in range(self._number_of_ch):
+            header = f"[Chromatogram (Ch{idx + 1})]"
+            lines = self.lines[header]
+            table = self.append_table(tables)
+            table['metadata']['Header'] = header
+
+            metas = [x for x in lines if re.match('^\d', x) is None]
+            values = [[float(y) for y in x.split(',')] for x in lines if re.match('^\d', x) is not None]
+            for line in metas[:-1]:
+                key, value = [x.strip() for x in line.split(',', 1)]
+                table['metadata'][f"{header}.{key}"] = value
+            table['rows'] = values
+
+
+            table['columns'] = [{
+                'key': str(idx),
+                'name': value
+            } for idx, value in enumerate(metas[-1].split(','))]
+
+            table['metadata']['rows'] = str(len(table['rows']))
+            table['metadata']['columns'] = str(len(table['columns']))
+
+
+        return tables