35 #ifndef OPENMS_FORMAT_SPECARRAYFILE_H 
   36 #define OPENMS_FORMAT_SPECARRAYFILE_H 
   77     template <
typename FeatureMapType>
 
   78     void load(
const String & filename, FeatureMapType & feature_map)
 
   87       for (
Size i = 1; i < input.size(); ++i)
 
   91         std::vector<String> parts;
 
   92         line.
split(
'\t', parts);
 
   96           throw Exception::ParseError(__FILE__, __LINE__, __PRETTY_FUNCTION__, 
"", 
String(
"Failed to convert line")  + 
String(i + 1) + 
"not enough columns (expected 5 or more, got " + 
String(parts.size()) + 
")");
 
  102           f.
setMZ(parts[0].toDouble());
 
  103           f.
setRT(parts[1].toDouble() * 60.0);
 
  110           throw Exception::ParseError(__FILE__, __LINE__, __PRETTY_FUNCTION__, 
"", 
String(
"Failed to convert value into a number (line '") + (i + 1) + 
")");
 
  112         feature_map.push_back(f);
 
  123     template <
typename SpectrumType>
 
  124     void store(
const String & filename, 
const SpectrumType & spectrum)
 const 
  126       std::cerr << 
"Store() for SpecArrayFile not implemented. Filename was: " << filename << 
", spec of size " << spectrum.size() << 
"\n";
 
  133 #endif // OPENMS_FORMAT_SPECARRAYFILE_H 
A more convenient string class. 
Definition: String.h:56
void setMZ(CoordinateType coordinate)
Mutable access to the m/z coordinate (index 1) 
Definition: Peak2D.h:197
void store(const String &filename, const SpectrumType &spectrum) const 
Stores a featureXML as a SpecArray file. 
Definition: SpecArrayFile.h:124
void setIntensity(IntensityType intensity)
Non-mutable access to the data point intensity (height) 
Definition: Peak2D.h:167
File adapter for SpecArray (.pepList) files. 
Definition: SpecArrayFile.h:61
void setRT(CoordinateType coordinate)
Mutable access to the RT coordinate (index 0) 
Definition: Peak2D.h:209
Exception base class. 
Definition: Exception.h:90
An LC-MS feature. 
Definition: Feature.h:66
size_t Size
Size type e.g. used as variable which can hold result of size() 
Definition: Types.h:144
void setCharge(const ChargeType &ch)
Set charge state. 
void load(const String &filename, FeatureMapType &feature_map)
Loads a SpecArray file into a featureXML. 
Definition: SpecArrayFile.h:78
bool split(const char splitter, std::vector< String > &substrings, bool quote_protect=false) const 
Splits a string into substrings using splitter as delimiter. 
Not implemented exception. 
Definition: Exception.h:437
This class provides some basic file handling methods for text files. 
Definition: TextFile.h:47
Parse Error exception. 
Definition: Exception.h:608