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