File: GenericWrapper.C

package info (click to toggle)
openms 1.11.1-5
  • links: PTS, VCS
  • area: main
  • in suites: jessie, jessie-kfreebsd
  • size: 436,688 kB
  • ctags: 150,907
  • sloc: cpp: 387,126; xml: 71,547; python: 7,764; ansic: 2,626; php: 2,499; sql: 737; ruby: 342; sh: 325; makefile: 128
file content (478 lines) | stat: -rw-r--r-- 18,448 bytes parent folder | download
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
221
222
223
224
225
226
227
228
229
230
231
232
233
234
235
236
237
238
239
240
241
242
243
244
245
246
247
248
249
250
251
252
253
254
255
256
257
258
259
260
261
262
263
264
265
266
267
268
269
270
271
272
273
274
275
276
277
278
279
280
281
282
283
284
285
286
287
288
289
290
291
292
293
294
295
296
297
298
299
300
301
302
303
304
305
306
307
308
309
310
311
312
313
314
315
316
317
318
319
320
321
322
323
324
325
326
327
328
329
330
331
332
333
334
335
336
337
338
339
340
341
342
343
344
345
346
347
348
349
350
351
352
353
354
355
356
357
358
359
360
361
362
363
364
365
366
367
368
369
370
371
372
373
374
375
376
377
378
379
380
381
382
383
384
385
386
387
388
389
390
391
392
393
394
395
396
397
398
399
400
401
402
403
404
405
406
407
408
409
410
411
412
413
414
415
416
417
418
419
420
421
422
423
424
425
426
427
428
429
430
431
432
433
434
435
436
437
438
439
440
441
442
443
444
445
446
447
448
449
450
451
452
453
454
455
456
457
458
459
460
461
462
463
464
465
466
467
468
469
470
471
472
473
474
475
476
477
478
// --------------------------------------------------------------------------
//                   OpenMS -- Open-Source Mass Spectrometry
// --------------------------------------------------------------------------
// Copyright The OpenMS Team -- Eberhard Karls University Tuebingen,
// ETH Zurich, and Freie Universitaet Berlin 2002-2013.
//
// This software is released under a three-clause BSD license:
//  * Redistributions of source code must retain the above copyright
//    notice, this list of conditions and the following disclaimer.
//  * Redistributions in binary form must reproduce the above copyright
//    notice, this list of conditions and the following disclaimer in the
//    documentation and/or other materials provided with the distribution.
//  * Neither the name of any author or any participating institution
//    may be used to endorse or promote products derived from this software
//    without specific prior written permission.
// For a full list of authors, refer to the file AUTHORS.
// --------------------------------------------------------------------------
// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS"
// AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE
// ARE DISCLAIMED. IN NO EVENT SHALL ANY OF THE AUTHORS OR THE CONTRIBUTING
// INSTITUTIONS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS;
// OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY,
// WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR
// OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF
// ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
//
// --------------------------------------------------------------------------
// $Maintainer: Chris Bielow $
// $Authors: Chris Bielow $
// --------------------------------------------------------------------------

#include <OpenMS/APPLICATIONS/TOPPBase.h>

#include <OpenMS/CONCEPT/Factory.h>
#include <OpenMS/FORMAT/MzMLFile.h>
#include <OpenMS/DATASTRUCTURES/Param.h>

#include <QtCore/QProcess>
#include <QFileInfo>
#include <QDir>

#include <typeinfo>

using namespace OpenMS;
using namespace std;

/**
    @page TOPP_GenericWrapper GenericWrapper

    @brief Allows generically the wrapping of external tools.
<CENTER>
    <table>
        <tr>
            <td ALIGN = "center" BGCOLOR="#EBEBEB"> pot. predecessor tools </td>
            <td VALIGN="middle" ROWSPAN=2> \f$ \longrightarrow \f$ GenericWrapper \f$ \longrightarrow \f$</td>
            <td ALIGN = "center" BGCOLOR="#EBEBEB"> pot. successor tools </td>
        </tr>
        <tr>
            <td VALIGN="middle" ALIGN = "center" ROWSPAN=1> any file the external tool can read </td>
            <td VALIGN="middle" ALIGN = "center" ROWSPAN=1> any tool reading the output format </td>
        </tr>
        <tr>
            <td VALIGN="middle" ALIGN = "center" ROWSPAN=1> @ref TOPP_IDFileConverter (to produce pepXML) </td>
            <td VALIGN="middle" ALIGN = "center" ROWSPAN=1> \f$ \longrightarrow \f$ GenericWrapper (type 'ProteinProphet') \f$ \longrightarrow \f$</td>
            <td VALIGN="middle" ALIGN = "center" ROWSPAN=1> @ref TOPP_IDFileConverter (protXML to idXML) </td>
        </tr>
        <tr>
            <td VALIGN="middle" ALIGN = "center" ROWSPAN=1> RAW file </td>
            <td VALIGN="middle" ROWSPAN=1> \f$ \longrightarrow \f$ GenericWrapper (type 'RAWFileConvert') \f$ \longrightarrow \f$</td>
            <td VALIGN="middle" ALIGN = "center" ROWSPAN=1> any tool accepting mzML </td>
        </tr>

    </table>
</CENTER>

  This tool is a wrapper to call external (non-OpenMS) executables/scripts.
  Each supported tool is represented by a certain <tt>type</tt>.
  Each type exposes certain parameters which you can set (usually at least a <tt>in</tt> and <tt>out</tt>).

  To obtain support for more external programs, visit the OpenMS website or (if you cannot find your tool there) ask on the OpenMS mailing list.

  <b>The following section is for experts only, who want to add their own external tool:</b>

  Each external tool is configured via a wrapper XML file in 'OpenMS/share/OpenMS/TOOLS/EXTERNAL'. All files have the ending .ttd (TOPP tool description).
  You can add one or more wrappers (i.e. types) per file, but we recommend one. The filename does not really matter, but it should be descriptive.

  The ttd file has the following structure:
  <table>

  <tr><th>type</th><td>
  The name of the type which is added to list of valid GenericWrapper types. It should be unique, otherwise you get a fatal error.
  </td></tr>

  <tr><th>category</th><td>
  Category for TOPPAS.
  </td></tr>

  <tr><th>cloptions</th><td>
  Command line options (arguments) appended to the executable.
  This string might contain placeholders of the form "%&lt;i&gt;"
  where each placeholder will be substituted with a value that is determined in the
  mappings section (see below).

  Example:
@code
<cloptions>-o "%1" --mzML "%2"</cloptions>
@endcode
  </td></tr>

  <tr><th>path</th><td>
  Path (can be relative) to the executable that is executed.
  </td></tr>

  <tr><th>mappings</th><td>
  Used to replace placeholders with input parameters.
  The mapping id corresponds to the placeholder in <tt>cloptions</tt>.
  The template used as starting string is given in <tt>cl</tt>.
  All tokens therein will be replaced and the result will be patched into the <tt>cloptions</tt> string.
  Allowed tokens are:
  <ul>
  <li>%TMP  --> The current temp directory, fetched using File::getTempDirectory()
  <li>%BASENAME[file] --> the basename of a file, e.g. c:/tmp/myfile.mzML gives 'myfile'
  <li>%RND --> generates a long random number, which can be used to generate unique filenames in a &lt;file_pre&gt; tag
  <li>%WORKINGDIR --> expands to the current working directory (default is '.'), settable by &lt;workingdirectory&gt; tag in the .ttd file.
  <li>%%&lt;param&gt; --> any param registered in the ini_param section, e.g. '%%in'
  </ul>

  Example:
@code
  <mapping id="2" cl="-output_file %BASENAME[%%in].mgf -temp_dir %TMP -depth 3" />
@endcode
  </td></tr>

  <tr><th>ini_param</th><td>
  Contains part of a normal INI file with describes the parameters. Valid tags are those that are in the ParamXML scheme below 'NODE', e.g. 'ITEM'.
  Example:
@code
  <ITEM name="out" value="" type="string" description="output XML file containg regression line and confidence interval" tags="output file" />
  <ITEM name="mz_tolerance" value="1" type="float" description="Tolerance in m/z dimension" />
@endcode
  </td></tr>

  </table>

    <B>The command line parameters of this tool are:</B>
    @verbinclude TOPP_GenericWrapper.cli
    <B>INI file documentation of this tool:</B>
    @htmlinclude TOPP_GenericWrapper.html
*/


// We do not want this class to show up in the docu:
/// @cond TOPPCLASSES

class TOPPGenericWrapper :
  public TOPPBase
{
public:
  TOPPGenericWrapper() :
    TOPPBase("GenericWrapper", "Allows the generic wrapping of external tools.")
  {
  }

protected:

  /**
    @brief format filenames and quote stringlists
  */
  String paramToString_(const Param::ParamEntry & p)
  {

    if (p.value.valueType() == DataValue::STRING_LIST) // quote each element
    {
      StringList val(p.value);
      if (p.tags.count("input file") || p.tags.count("output file"))
      {
        for (Size i = 0; i < val.size(); ++i)
        {
          val[i] = QDir::toNativeSeparators(val[i].toQString());
        }
      }
      return "\"" + val.concatenate("\" \"") + "\"";
    }
    if (p.tags.count("input file") || p.tags.count("output file"))
    {
      // ensure that file names are formated according to system spec
      return QDir::toNativeSeparators(p.value.toQString());
    }
    else
    {
      return p.value;
    }
  }

  /**
    @brief Simple compare struct to sort a vector of String by the length of
    the contained strings

    */
  struct StringSizeLess :
    std::binary_function<String, String, bool>
  {
    bool operator()(String const & left, String const & right) const
    {
      return left.size() < right.size();
    }

  };


  void createFragment_(String & fragment, const Param & param)
  {
    // e.g.:  -input %BASENAME[%%in].mzML

    // we have to make this little detour param -> vector<String>
    // to sort the param names by length, otherwise we have a
    // problem with parameter substitution
    // i.e., if A is a prefix of B and gets replaced first, the
    // suffix of B remains and will cause trouble!
    vector<String> param_names;
    param_names.reserve(param.size());
    for (Param::ParamIterator it = param.begin(); it != param.end(); ++it)
    {
      param_names.push_back(it->name);
    }
    // sort by length
    std::sort(param_names.begin(), param_names.end(), reverseComparator(StringSizeLess()));

    // iterate through all input params and replace with values:
    for (vector<String>::iterator it = param_names.begin(); it != param_names.end(); ++it)
    {
      fragment.substitute("%%" + *it, paramToString_(param.getEntry(*it)));
    }
    if (fragment.hasSubstring("%%")) throw Exception::InvalidValue(__FILE__, __LINE__, __PRETTY_FUNCTION__, "Invalid '%%' found in '" + fragment + "' after replacing all parameters!", fragment);

    // %TMP replace:
    fragment.substitute("%TMP", File::getTempDirectory());

    // %RND replace:
    fragment.substitute("%RND", String(UniqueIdGenerator::getUniqueId()));

    // %WORKINGDIR replace:
    fragment.substitute("%WORKINGDIR", tde_.working_directory);

    // %BASENAME% replace
    QRegExp rx("%BASENAME\\[(.*)\\]");
    rx.setMinimal(true);
    int pos = 0;
    QString t_tmp = fragment.toQString();
    while ((pos = rx.indexIn(t_tmp, pos + 1)) != -1)
    {
      //std::cout << "match @ " << pos << "\n";
      String value = rx.cap(1);   // paramname (hopefully)
      // replace in fragment:
      QFileInfo qfi(value.toQString());
      fragment.substitute("%BASENAME[" + value + "]", qfi.baseName());
    }

    if (fragment.has('%')) throw Exception::InvalidValue(__FILE__, __LINE__, __PRETTY_FUNCTION__, "Mapping still contains a '%' after substitution! Did you use % instead of %%?", fragment);

    //std::cout << fragment << "'\n";
  }

  Internal::ToolExternalDetails tde_;

  ExitCodes wrapExit(const ExitCodes return_code)
  {
    if (return_code != EXECUTION_OK)
    {
      LOG_ERROR << "\n" << tde_.text_fail << "\n";
    }
    return return_code;
  }

  void registerOptionsAndFlags_()
  {
    registerSubsection_("ETool", "tool specific parameters");
    registerStringOption_("type", "", "", "Which external tool configuration to load?! See '" + ToolHandler::getExternalToolsPath() + "'.", true, false);
    setValidStrings_("type", ToolHandler::getTypes(toolName_()));
  }

  Param getSubsectionDefaults_(const String & /*section*/) const
  {
    String type = getStringOption_("type");
    // find params for 'type'
    Internal::ToolDescription gw = ToolHandler::getTOPPToolList(true)[toolName_()];
    for (Size i = 0; i < gw.types.size(); ++i)
    {
      if (type == gw.types[i])
      {
        return gw.external_details[i].param;
      }
    }
    return Param();
  }

  ExitCodes main_(int, const char **)
  {
    // find the config for the tool:
    String type = getStringOption_("type");


    Param tool_param = this->getParam_();

    // check required parameters (TOPPBase does not do this as we did not use registerInputFile_(...) etc)
    Param p = tool_param.copy("ETool:", true);
    for (Param::ParamIterator it = p.begin(); it != p.end(); ++it)
    {
      if ((it->tags).count("required") > 0)
      {
        if (it->value.toString().trim().empty())    // any required parameter should have a value
        {
          LOG_ERROR << "The INI-parameter '" + it->name + "' is required, but was not given! Aborting ...";
          return wrapExit(CANNOT_WRITE_OUTPUT_FILE);
        }
        else if ((it->tags).count("input file") > 0) // any required input file should exist
        {
          if (!File::exists(it->value))
          {
            LOG_ERROR << "Input file '" + String(it->value) + "' does not exist! Aborting ...";
            return wrapExit(INPUT_FILE_NOT_FOUND);
          }
        }
      }
    }

    Internal::ToolDescription gw = ToolHandler::getTOPPToolList(true)[toolName_()];
    for (Size i = 0; i < gw.types.size(); ++i)
    {
      if (type == gw.types[i])
      {
        tde_ = gw.external_details[i];
        if (tde_.working_directory.trim() == "") tde_.working_directory = ".";
        break;
      }
    }

    LOG_INFO << tde_.text_startup << "\n";

    String command_args = tde_.commandline;
    // check for double spaces and warn
    if (command_args.hasSubstring("  "))
    {
      LOG_WARN << "Commandline contains double spaces, which is not allowed. Condensing...\n";
      while (command_args.hasSubstring("  "))
      {
        command_args.substitute("  ", " ");
      }
      LOG_WARN << "result: " << command_args << std::endl;
    }

    writeDebug_("CommandLine from ttd (unprocessed): " + command_args, 1);

    // do "pre" moves (e.g. if the wrapped tool works on its data in-place (overwrites) it - we need to make a copy first
    // - we copy the file
    // - we set the value of the affected parameter to the copied tmp file, such that subsequent calls target the tmp file
    for (Size i = 0; i < tde_.tr_table.pre_moves.size(); ++i)
    {
      const Internal::FileMapping & fm = tde_.tr_table.pre_moves[i];
      // find target param:
      Param p = tool_param.copy("ETool:", true);
      String target = fm.target;
      if (!p.exists(target)) throw Exception::InvalidValue(__FILE__, __LINE__, __PRETTY_FUNCTION__, "Cannot find target parameter '" + target + "' being mapped from external tools output!", target);
      String tmp_location = fm.location;
      // fragment's placeholder evaluation:

      createFragment_(tmp_location, p);

      // check if target already exists:
      String target_file = (String)p.getValue(target);
      if (File::exists(tmp_location))
      {
        if (!File::remove(tmp_location))
        {
          LOG_ERROR << "While writing a tmp file: Cannot remove conflicting file '" + tmp_location + "'. Check permissions! Aborting ...";
          return wrapExit(CANNOT_WRITE_OUTPUT_FILE);
        }
      }
      // create the temp file  tmp_location target_file
      writeDebug_(String("Copying '") + target_file + "' to '" + tmp_location + "'", 1);
      bool move_ok = QFile::copy(target_file.toQString(), tmp_location.toQString());
      if (!move_ok)
      {
        LOG_ERROR << "Copying the target file '" + tmp_location + "' from '" + target_file + "' failed! Aborting ...";
        return wrapExit(CANNOT_WRITE_OUTPUT_FILE);
      }
      // set the input file's value to the temp file
      tool_param.setValue(String("ETool:") + target, tmp_location);
    }

    ///// construct the command line:
    // go through mappings (reverse because replacing %10 must come before %1):
    for (std::map<Int, String>::reverse_iterator it = tde_.tr_table.mapping.rbegin(); it != tde_.tr_table.mapping.rend(); ++it)
    {
      //std::cout << "mapping #" << it->first << "\n";
      String fragment = it->second;
      // fragment's placeholder evaluation:
      createFragment_(fragment, tool_param.copy("ETool:", true));

      // replace fragment in cl
      //std::cout << "replace : " << "%"+String(it->first) << " with '" << fragment << "\n";
      command_args.substitute("%" + String(it->first), fragment);
    }

    QProcess builder;
    builder.setProcessChannelMode(QProcess::MergedChannels);
    String call = tde_.path + " " + command_args;

    writeDebug_("call command: " + call, 1);

    builder.setWorkingDirectory(tde_.working_directory.toQString());
    builder.start(call.toQString());

    if (!builder.waitForFinished(-1) || builder.exitStatus() != 0 || builder.exitCode() != 0)
    {
      LOG_ERROR << ("External tool returned with non-zero exit code (" + String(builder.exitCode()) + "), exit status (" + String(builder.exitStatus()) + ") or timed out. Aborting ...\n");
      LOG_ERROR << ("External tool output:\n" + String(QString(builder.readAll())));
      return wrapExit(EXTERNAL_PROGRAM_ERROR);
    }

    LOG_INFO << ("External tool output:\n" + String(QString(builder.readAll())));


    // post processing (file moving via 'file' command)
    for (Size i = 0; i < tde_.tr_table.post_moves.size(); ++i)
    {
      const Internal::FileMapping & fm = tde_.tr_table.post_moves[i];
      // find target param:
      Param p = tool_param.copy("ETool:", true);
      String target = fm.target;
      if (!p.exists(target)) throw Exception::InvalidValue(__FILE__, __LINE__, __PRETTY_FUNCTION__, "Cannot find target parameter '" + target + "' being mapped from external tools output!", target);
      String source = fm.location;
      // fragment's placeholder evaluation:
      createFragment_(source, p);
      // check if target already exists:
      String target_file = (String)p.getValue(target);

      if (target_file.trim().empty())   // if target was not given, we skip the copying step (usually for optional parameters)
      {
        LOG_INFO << "Parameter '" + target + "' not given. Skipping forwarding of files.\n";
        continue;
      }
      if (File::exists(target_file))
      {
        if (!File::remove(target_file))
        {
          LOG_ERROR << "Cannot remove conflicting file '" + target_file + "'. Check permissions! Aborting ...";
          return wrapExit(CANNOT_WRITE_OUTPUT_FILE);
        }
      }
      // move to target
      writeDebug_(String("moving '") + source + "' to '" + target_file + "'", 1);
      bool move_ok = QFile::rename(source.toQString(), target_file.toQString());
      if (!move_ok)
      {
        LOG_ERROR << "Moving the target file '" + target_file + "' from '" + source + "' failed! Aborting ...";
        return wrapExit(CANNOT_WRITE_OUTPUT_FILE);
      }
    }

    LOG_INFO << tde_.text_finish << "\n";

    return wrapExit(EXECUTION_OK);
  }

};

int main(int argc, const char ** argv)
{
  TOPPGenericWrapper tool;
  return tool.main(argc, argv);
}

/// @endcond