bika.lims.exportimport.instruments.shimadzu.gcms.qp2010se.GCMSQP2010SECSVParser.zeroValueDefaultInstrumentResults() - Code Metrics - Inspection of "Sample cleanup (#1180)" - senaite/senaite.core - Measure and Improve Code Quality continuously with Scrutinizer

Completed

Branch — master (9edffc)

by Jordi

created 2019-01-04 23:53 UTC

GCMSQP2010SECSVParser.zeroValueDefaultInstrumentResults() B

↳ Parent: bika.lims.exportimport.instruments.shimadzu.gcms.qp2010se

Complexity

Conditions

Size

Total Lines	17
Code Lines	16

Duplication

Lines	0
Ratio	0 %

Importance

Changes

Metric	Value
eloc	16
dl	0
loc	17
rs	8.6666
c	0
b	0
f	0
cc	6
nop	4

# -*- coding: utf-8 -*-
#
# This file is part of SENAITE.CORE
#
# Copyright 2018 by it's authors.
# Some rights reserved. See LICENSE.rst, CONTRIBUTORS.rst.

""" Shimadzu's 'GCMS QP2010 SE'
"""
from bika.lims import bikaMessageFactory as _
from datetime import datetime
import json
import re
from bika.lims.exportimport.instruments.resultsimport import \
        InstrumentCSVResultsFileParser, AnalysisResultsImporter
import traceback

title = "Shimadzu - GCMS-QP2010 SE"


def Import(context, request):

    """ Read Shimadzu GCMS-TQ8030 GC/MS/MS analysis results
    """
    form = request.form
    # TODO form['file'] sometimes returns a list
    infile = form['instrument_results_file'][0] if \
        isinstance(form['instrument_results_file'], list) \
        else form['instrument_results_file']
    override = form['results_override']
    artoapply = form['artoapply']
    instrument = form.get('instrument', None)
    errors = []
    logs = []

    # Load the most suitable parser according to file extension/options/etc...
    parser = None
    if not hasattr(infile, 'filename'):
        errors.append(_("No file selected"))
    parser = GCMSQP2010SECSVParser(infile)

    if parser:
        # Load the importer
        status = ['sample_received', 'attachment_due', 'to_be_verified']
        if artoapply == 'received':
            status = ['sample_received']
        elif artoapply == 'received_tobeverified':
            status = ['sample_received', 'attachment_due', 'to_be_verified']

        over = [False, False]
        if override == 'nooverride':
            over = [False, False]
        elif override == 'override':
            over = [True, False]
        elif override == 'overrideempty':
            over = [True, True]

        importer = GCMSQP2010SEImporter(parser=parser,
                                        context=context,
                                        allowed_ar_states=status,
                                        allowed_analysis_states=None,
                                        override=over,
                                        instrument_uid=instrument)
        tbex = ''
        try:
            importer.process()
        except:
            tbex = traceback.format_exc()
        errors = importer.errors
        logs = importer.logs
        warns = importer.warns
        if tbex:
            errors.append(tbex)

    results = {'errors': errors, 'log': logs, 'warns': warns}


    return json.dumps(results)


class GCMSQP2010SECSVParser(InstrumentCSVResultsFileParser):

    HEADERTABLE_KEY = '[Header]'
    HEADERKEY_FILENAME = 'Data File Name'
    HEADERKEY_OUTPUTDATE = 'Output Date'
    HEADERKEY_OUTPUTTIME = 'Output Time'
    QUANTITATIONRESULTS_KEY = '[MS Quantitative Results]'
    QUANTITATIONRESULTS_NUMBEROFIDS = '# of IDs'
    QUANTITATIONRESULTS_HEADER_ID_NUMBER = 'ID#'
    QUANTITATIONRESULTS_NUMERICHEADERS = ('Mass', 'Height' 'Conc.',
                                          'Std.Ret.Time', '3rd', '2nd', '1st',
                                          'Constant', 'Ref.Ion Area',
                                          'Ref.Ion Height',
                                          'Ref.Ion Set Ratio',
                                          'Ref.Ion Ratio', 'Recovery',
                                          'SI', 'Ref.Ion1 m/z',
                                          'Ref.Ion1 Area', 'Ref.Ion1 Height',
                                          'Ref.Ion1 Set Ratio',
                                          'Ref.Ion1 Ratio', 'Ref.Ion2 m/z',
                                          'Ref.Ion2 Area', 'Ref.Ion2 Height',
                                          'Ref.Ion2 Set Ratio',
                                          'Ref.Ion2 Ratio', 'Ref.Ion3 m/z',
                                          'Ref.Ion3 Area', 'Ref.Ion3 Height',
                                          'Ref.Ion3 Set Ratio',
                                          'Ref.Ion3 Ratio',
                                          'Ref.Ion4 m/z', 'Ref.Ion4 Area',
                                          'Ref.Ion4 Height',
                                          'Ref.Ion4 Set Ratio',
                                          'Ref.Ion4 Ratio', 'Ref.Ion5 m/z',
                                          'Ref.Ion5 Area', 'Ref.Ion5 Height',
                                          'Ref.Ion5 Set Ratio',
                                          'Ref.Ion5 Ratio', 'S/N', 'Threshold',
                                          )
    SIMILARITYSEARCHRESULTS_KEY = \
        '[MS Similarity Search Results for Identified Results]'
    PEAK_TABLE_KEY = '[MC Peak Table]'
    COMMAS = ','

    def __init__(self, csv):
        InstrumentCSVResultsFileParser.__init__(self, csv)
        self._end_header = False
        self._quantitationresultsheader = []
        self._numline = 0

    def _parseline(self, line):
        if self._end_header is False:
            return self.parse_headerline(line)
        else:
            return self.parse_quantitationesultsline(line)

    def parse_headerline(self, line):
        """ Parses header lines

            Header example:
            [Header]
            Data File Name,C:\GCMSsolution\Data\October\
                    1-16-02249-001_CD_10172016_2.qgd
            Output Date,10/18/2016
            Output Time,12:04:11 PM
        """
        if self._end_header is True:
            # Header already processed
            return 0

        splitted = [token.strip() for token in line.split('\t')]

        # [Header]
        if splitted[0] == self.HEADERTABLE_KEY:
            if self.HEADERTABLE_KEY in self._header:
                self.warn("Header [Header] Info already found. Discarding",
                          numline=self._numline, line=line)
                return 0

            self._header[self.HEADERTABLE_KEY] = []
            for i in range(len(splitted) - 1):
                if splitted[i + 1]:
                    self._header[self.HEADERTABLE_KEY].append(splitted[i + 1])

        # Data File Name, C:\GCMSsolution\Data\October\
        # 1-16-02249-001_CD_10172016_2.qgd
        elif splitted[0] == self.HEADERKEY_FILENAME:
            if self.HEADERKEY_FILENAME in self._header:
                self.warn("Header File Data Name already found. Discarding",
                          numline=self._numline, line=line)
                return 0

            if splitted[1]:
                self._header[self.HEADERKEY_FILENAME] = splitted[1]
            else:
                self.warn("File Data Name not found or empty",
                          numline=self._numline, line=line)

        # Output Date	10/18/2016
        elif splitted[0] == self.HEADERKEY_OUTPUTDATE:
            if splitted[1]:
                try:
                    d = datetime.strptime(splitted[1], "%m/%d/%Y")
                    self._header[self.HEADERKEY_OUTPUTDATE] = d
                except ValueError:
                    self.err("Invalid Output Date format",
                             numline=self._numline, line=line)
            else:
                self.warn("Output Date not found or empty",
                          numline=self._numline, line=line)
                d = datetime.strptime(splitted[1], "%m/%d/%Y")

        # Output Time	12:04:11 PM
        elif splitted[0] == self.HEADERKEY_OUTPUTTIME:
            if splitted[1]:
                try:
                    d = datetime.strptime(splitted[1], "%I:%M:%S %p")
                    self._header[self.HEADERKEY_OUTPUTTIME] = d
                except ValueError:
                    self.err("Invalid Output Time format",
                             numline=self._numline, line=line)
            else:
                self.warn("Output Time not found or empty",
                          numline=self._numline, line=line)
                d = datetime.strptime(splitted[1], "%I:%M %p")

        if line.startswith(self.QUANTITATIONRESULTS_KEY):
            self._end_header = True
            if len(self._header) == 0:
                self.err("No header found", numline=self._numline)
                return -1
            return 0

        return 0

    def parse_quantitationesultsline(self, line):
        """ Parses quantitation result lines
            Please see samples/GC-MS output.txt
            [MS Quantitative Results] section
        """

        # [MS Quantitative Results]
        if line.startswith(self.QUANTITATIONRESULTS_KEY) \
                or line.startswith(self.QUANTITATIONRESULTS_NUMBEROFIDS) \
                or line.startswith(self.SIMILARITYSEARCHRESULTS_KEY) \
                or line.startswith(self.PEAK_TABLE_KEY):

            # Nothing to do, continue
            return 0

        # # of IDs \t23
        if line.startswith(self.QUANTITATIONRESULTS_HEADER_ID_NUMBER):
            self._quantitationresultsheader = [token.strip() for token
                                               in line.split('\t')
                                               if token.strip()]
            return 0

        # 1 \talpha-Pinene \tTarget \t0 \t93.00 \t7.738 \t7.680 \t7.795 \t2.480
        # \t344488 \t138926 \t0.02604 \tAuto \t2	\t7.812	\tLinear \t0 \t0
        # \t4.44061e+008	\t278569 \t0 \t0 \t38.94 \t38.58 \t0.00	\t98 \t92.00
        # \t0 \t0 \t38.94 \t38.58 \t91.00 \t0 \t0 \t38.93 \t40.02 \t0 \t0 \t0
        # \t0 \t0 \t0 \t0 #\t0 \t0 \t0 \t0 \t0 \t0 \t0 \t0 \t75.27 \tmg \t0.000
        splitted = [token.strip() for token in line.split('\t')]
        ar_id = self._header['Data File Name'].split('\\')[-1].split('.')[0]
        quantitation = {'DefaultResult': 'Conc.', 'AR': ar_id}
        for colname in self._quantitationresultsheader:
            quantitation[colname] = ''

        for i in range(len(splitted)):
            token = splitted[i]
            if i < len(self._quantitationresultsheader):

                colname = self._quantitationresultsheader[i]
                if colname in self.QUANTITATIONRESULTS_NUMERICHEADERS:
                    try:
                        quantitation[colname] = float(token)
                    except ValueError:
                        self.warn(
                            "No valid number ${token} in column "
                            "${index} (${column_name})",
                            mapping={"token": token,
                                     "index": str(i + 1),
                                     "column_name": colname},
                            numline=self._numline, line=line)
                        quantitation[colname] = token
                else:
                    quantitation[colname] = token

                # val = re.sub(r"\W", "", splitted[1])
                # self._addRawResult(quantitation['AR'],
                #                   values={val:quantitation},
                #                   override=False)
            elif token:
                self.err("Orphan value in column ${index} (${token})",
                         mapping={"index": str(i+1),
                                  "token": token},
                         numline=self._numline, line=line)

        result = quantitation[quantitation['DefaultResult']]
        column_name = quantitation['DefaultResult']
        result = self.zeroValueDefaultInstrumentResults(column_name,
                                                        result, line)
        quantitation[quantitation['DefaultResult']] = result

        val = re.sub(r"\W", "", splitted[1])
        self._addRawResult(quantitation['AR'],
                           values={val: quantitation},
                           override=False)

    def zeroValueDefaultInstrumentResults(self, column_name, result, line):
        result = str(result)
        if result.startswith('--') or result == '' or result == 'ND':
            return 0.0

        try:
            result = float(result)
            if result < 0.0:
                result = 0.0
        except ValueError:
            self.err(
                "No valid number ${result} in column (${column_name})",
                mapping={"result": result,
                         "column_name": column_name},
                numline=self._numline, line=line)
            return
        return result


class GCMSQP2010SEImporter(AnalysisResultsImporter):

    def __init__(self, parser, context, override,
                 allowed_ar_states=None, allowed_analysis_states=None,
                 instrument_uid=''):
        AnalysisResultsImporter.__init__(self, parser, context,
                                         override, allowed_ar_states,
                                         allowed_analysis_states,
                                         instrument_uid)


1		# -- coding: utf-8 --
2		#
3		# This file is part of SENAITE.CORE
4		#
5		# Copyright 2018 by it's authors.
6		# Some rights reserved. See LICENSE.rst, CONTRIBUTORS.rst.
7
8		""" Shimadzu's 'GCMS QP2010 SE'
9		"""
10		from bika.lims import bikaMessageFactory as _
11		from datetime import datetime
12		import json
13		import re
14		from bika.lims.exportimport.instruments.resultsimport import \
15		InstrumentCSVResultsFileParser, AnalysisResultsImporter
16		import traceback
17
18		title = "Shimadzu - GCMS-QP2010 SE"
19
20
21	View Code Duplication	def Import(context, request):
		0 ignored issues – show Duplication introduced 2018-01-03 21:05 UTC by Report Bug Copy Issue Report This code seems to be duplicated in your project. Loading history...
22		""" Read Shimadzu GCMS-TQ8030 GC/MS/MS analysis results
23		"""
24		form = request.form
25		# TODO form['file'] sometimes returns a list
26		infile = form['instrument_results_file'][0] if \
27		isinstance(form['instrument_results_file'], list) \
28		else form['instrument_results_file']
29		override = form['results_override']
30		artoapply = form['artoapply']
31		instrument = form.get('instrument', None)
32		errors = []
33		logs = []
34
35		# Load the most suitable parser according to file extension/options/etc...
36		parser = None
37		if not hasattr(infile, 'filename'):
38		errors.append(_("No file selected"))
39		parser = GCMSQP2010SECSVParser(infile)
40
41		if parser:
42		# Load the importer
43		status = ['sample_received', 'attachment_due', 'to_be_verified']
44		if artoapply == 'received':
45		status = ['sample_received']
46		elif artoapply == 'received_tobeverified':
47		status = ['sample_received', 'attachment_due', 'to_be_verified']
48
49		over = [False, False]
50		if override == 'nooverride':
51		over = [False, False]
52		elif override == 'override':
53		over = [True, False]
54		elif override == 'overrideempty':
55		over = [True, True]
56
57		importer = GCMSQP2010SEImporter(parser=parser,
58		context=context,
59		allowed_ar_states=status,
60		allowed_analysis_states=None,
61		override=over,
62		instrument_uid=instrument)
63		tbex = ''
64		try:
65		importer.process()
66		except:
67		tbex = traceback.format_exc()
68		errors = importer.errors
69		logs = importer.logs
70		warns = importer.warns
71		if tbex:
72		errors.append(tbex)
73
74		results = {'errors': errors, 'log': logs, 'warns': warns}
		0 ignored issues – show introduced 2018-07-25 08:58 UTC by Report Bug Copy Issue Report The variable `warns` does not seem to be defined in case `parser` on line `41` is `False`. Are you sure this can never be the case? Loading history...
75
76		return json.dumps(results)
77
78
79		class GCMSQP2010SECSVParser(InstrumentCSVResultsFileParser):
80
81		HEADERTABLE_KEY = '[Header]'
82		HEADERKEY_FILENAME = 'Data File Name'
83		HEADERKEY_OUTPUTDATE = 'Output Date'
84		HEADERKEY_OUTPUTTIME = 'Output Time'
85		QUANTITATIONRESULTS_KEY = '[MS Quantitative Results]'
86		QUANTITATIONRESULTS_NUMBEROFIDS = '# of IDs'
87		QUANTITATIONRESULTS_HEADER_ID_NUMBER = 'ID#'
88		QUANTITATIONRESULTS_NUMERICHEADERS = ('Mass', 'Height' 'Conc.',
89		'Std.Ret.Time', '3rd', '2nd', '1st',
90		'Constant', 'Ref.Ion Area',
91		'Ref.Ion Height',
92		'Ref.Ion Set Ratio',
93		'Ref.Ion Ratio', 'Recovery',
94		'SI', 'Ref.Ion1 m/z',
95		'Ref.Ion1 Area', 'Ref.Ion1 Height',
96		'Ref.Ion1 Set Ratio',
97		'Ref.Ion1 Ratio', 'Ref.Ion2 m/z',
98		'Ref.Ion2 Area', 'Ref.Ion2 Height',
99		'Ref.Ion2 Set Ratio',
100		'Ref.Ion2 Ratio', 'Ref.Ion3 m/z',
101		'Ref.Ion3 Area', 'Ref.Ion3 Height',
102		'Ref.Ion3 Set Ratio',
103		'Ref.Ion3 Ratio',
104		'Ref.Ion4 m/z', 'Ref.Ion4 Area',
105		'Ref.Ion4 Height',
106		'Ref.Ion4 Set Ratio',
107		'Ref.Ion4 Ratio', 'Ref.Ion5 m/z',
108		'Ref.Ion5 Area', 'Ref.Ion5 Height',
109		'Ref.Ion5 Set Ratio',
110		'Ref.Ion5 Ratio', 'S/N', 'Threshold',
111		)
112		SIMILARITYSEARCHRESULTS_KEY = \
113		'[MS Similarity Search Results for Identified Results]'
114		PEAK_TABLE_KEY = '[MC Peak Table]'
115		COMMAS = ','
116
117		def __init__(self, csv):
118		InstrumentCSVResultsFileParser.__init__(self, csv)
119		self._end_header = False
120		self._quantitationresultsheader = []
121		self._numline = 0
122
123		def _parseline(self, line):
124		if self._end_header is False:
125		return self.parse_headerline(line)
126		else:
127		return self.parse_quantitationesultsline(line)
128
129		def parse_headerline(self, line):
130		""" Parses header lines
131
132		Header example:
133		[Header]
134		Data File Name,C:\GCMSsolution\Data\October\
135		1-16-02249-001_CD_10172016_2.qgd
136		Output Date,10/18/2016
137		Output Time,12:04:11 PM
138		"""
139		if self._end_header is True:
140		# Header already processed
141		return 0
142
143		splitted = [token.strip() for token in line.split('\t')]
144
145		# [Header]
146		if splitted[0] == self.HEADERTABLE_KEY:
147		if self.HEADERTABLE_KEY in self._header:
148		self.warn("Header [Header] Info already found. Discarding",
149		numline=self._numline, line=line)
150		return 0
151
152		self._header[self.HEADERTABLE_KEY] = []
153		for i in range(len(splitted) - 1):
154		if splitted[i + 1]:
155		self._header[self.HEADERTABLE_KEY].append(splitted[i + 1])
156
157		# Data File Name, C:\GCMSsolution\Data\October\
158		# 1-16-02249-001_CD_10172016_2.qgd
159		elif splitted[0] == self.HEADERKEY_FILENAME:
160		if self.HEADERKEY_FILENAME in self._header:
161		self.warn("Header File Data Name already found. Discarding",
162		numline=self._numline, line=line)
163		return 0
164
165		if splitted[1]:
166		self._header[self.HEADERKEY_FILENAME] = splitted[1]
167		else:
168		self.warn("File Data Name not found or empty",
169		numline=self._numline, line=line)
170
171		# Output Date 10/18/2016
172		elif splitted[0] == self.HEADERKEY_OUTPUTDATE:
173		if splitted[1]:
174		try:
175		d = datetime.strptime(splitted[1], "%m/%d/%Y")
176		self._header[self.HEADERKEY_OUTPUTDATE] = d
177		except ValueError:
178		self.err("Invalid Output Date format",
179		numline=self._numline, line=line)
180		else:
181		self.warn("Output Date not found or empty",
182		numline=self._numline, line=line)
183		d = datetime.strptime(splitted[1], "%m/%d/%Y")
184
185		# Output Time 12:04:11 PM
186		elif splitted[0] == self.HEADERKEY_OUTPUTTIME:
187		if splitted[1]:
188		try:
189		d = datetime.strptime(splitted[1], "%I:%M:%S %p")
190		self._header[self.HEADERKEY_OUTPUTTIME] = d
191		except ValueError:
192		self.err("Invalid Output Time format",
193		numline=self._numline, line=line)
194		else:
195		self.warn("Output Time not found or empty",
196		numline=self._numline, line=line)
197		d = datetime.strptime(splitted[1], "%I:%M %p")
198
199		if line.startswith(self.QUANTITATIONRESULTS_KEY):
200		self._end_header = True
201		if len(self._header) == 0:
202		self.err("No header found", numline=self._numline)
203		return -1
204		return 0
205
206		return 0
207
208		def parse_quantitationesultsline(self, line):
209		""" Parses quantitation result lines
210		Please see samples/GC-MS output.txt
211		[MS Quantitative Results] section
212		"""
213
214		# [MS Quantitative Results]
215		if line.startswith(self.QUANTITATIONRESULTS_KEY) \
216		or line.startswith(self.QUANTITATIONRESULTS_NUMBEROFIDS) \
217		or line.startswith(self.SIMILARITYSEARCHRESULTS_KEY) \
218		or line.startswith(self.PEAK_TABLE_KEY):
219
220		# Nothing to do, continue
221		return 0
222
223		# # of IDs \t23
224		if line.startswith(self.QUANTITATIONRESULTS_HEADER_ID_NUMBER):
225		self._quantitationresultsheader = [token.strip() for token
226		in line.split('\t')
227		if token.strip()]
228		return 0
229
230		# 1 \talpha-Pinene \tTarget \t0 \t93.00 \t7.738 \t7.680 \t7.795 \t2.480
231		# \t344488 \t138926 \t0.02604 \tAuto \t2 \t7.812 \tLinear \t0 \t0
232		# \t4.44061e+008 \t278569 \t0 \t0 \t38.94 \t38.58 \t0.00 \t98 \t92.00
233		# \t0 \t0 \t38.94 \t38.58 \t91.00 \t0 \t0 \t38.93 \t40.02 \t0 \t0 \t0
234		# \t0 \t0 \t0 \t0 #\t0 \t0 \t0 \t0 \t0 \t0 \t0 \t0 \t75.27 \tmg \t0.000
235		splitted = [token.strip() for token in line.split('\t')]
236		ar_id = self._header['Data File Name'].split('\\')[-1].split('.')[0]
237		quantitation = {'DefaultResult': 'Conc.', 'AR': ar_id}
238		for colname in self._quantitationresultsheader:
239		quantitation[colname] = ''
240
241		for i in range(len(splitted)):
242		token = splitted[i]
243	View Code Duplication	if i < len(self._quantitationresultsheader):
		0 ignored issues – show Duplication introduced 2018-07-25 08:58 UTC by Report Bug Copy Issue Report This code seems to be duplicated in your project. Loading history...
244		colname = self._quantitationresultsheader[i]
245		if colname in self.QUANTITATIONRESULTS_NUMERICHEADERS:
246		try:
247		quantitation[colname] = float(token)
248		except ValueError:
249		self.warn(
250		"No valid number ${token} in column "
251		"${index} (${column_name})",
252		mapping={"token": token,
253		"index": str(i + 1),
254		"column_name": colname},
255		numline=self._numline, line=line)
256		quantitation[colname] = token
257		else:
258		quantitation[colname] = token
259
260		# val = re.sub(r"\W", "", splitted[1])
261		# self._addRawResult(quantitation['AR'],
262		# values={val:quantitation},
263		# override=False)
264		elif token:
265		self.err("Orphan value in column ${index} (${token})",
266		mapping={"index": str(i+1),
267		"token": token},
268		numline=self._numline, line=line)
269
270		result = quantitation[quantitation['DefaultResult']]
271		column_name = quantitation['DefaultResult']
272		result = self.zeroValueDefaultInstrumentResults(column_name,
273		result, line)
274		quantitation[quantitation['DefaultResult']] = result
275
276		val = re.sub(r"\W", "", splitted[1])
277		self._addRawResult(quantitation['AR'],
278		values={val: quantitation},
279		override=False)
280
281		def zeroValueDefaultInstrumentResults(self, column_name, result, line):
282		result = str(result)
283		if result.startswith('--') or result == '' or result == 'ND':
284		return 0.0
285
286		try:
287		result = float(result)
288		if result < 0.0:
289		result = 0.0
290		except ValueError:
291		self.err(
292		"No valid number ${result} in column (${column_name})",
293		mapping={"result": result,
294		"column_name": column_name},
295		numline=self._numline, line=line)
296		return
297		return result
298
299
300		class GCMSQP2010SEImporter(AnalysisResultsImporter):
301
302		def __init__(self, parser, context, override,
303		allowed_ar_states=None, allowed_analysis_states=None,
304		instrument_uid=''):
305		AnalysisResultsImporter.__init__(self, parser, context,
306		override, allowed_ar_states,
307		allowed_analysis_states,
308		instrument_uid)
309

senaite / senaite.core

Branch — master (9edffc)

GCMSQP2010SECSVParser.zeroValueDefaultInstrumentResults() B

Complexity

Size

Duplication

Importance

Duplication Side-by-Side

Filter issues like