35 #ifndef OPENMS_FORMAT_KROENIKFILE_H 
   36 #define OPENMS_FORMAT_KROENIKFILE_H 
   83     template <
typename FeatureMapType>
 
   84     void load(
const String & filename, FeatureMapType & feature_map)
 
   93       for (
Size i = 1; i < input.size(); ++i)
 
   98         std::vector<String> parts;
 
   99         line.
split(
'\t', parts);
 
  101         if (parts.size() != 14)
 
  104                                       String(
"Failed parsing in line ") + 
String(i + 1) + 
": missing 14 tab-separated entries (got " + 
String(parts.size()) + 
")\nLine was: '" + line + 
"'");
 
  110         f.
setRT(parts[11].toDouble());
 
  116         point.
setX(parts[9].toDouble());
 
  120         point.
setX(parts[9].toDouble());
 
  124         point.
setX(parts[10].toDouble());
 
  128         point.
setX(parts[10].toDouble());
 
  132         point.
setX(parts[9].toDouble());
 
  136         std::vector<ConvexHull2D> hulls;
 
  137         hulls.push_back(hull);
 
  144         feature_map.push_back(f);
 
  147       LOG_INFO << 
"Hint: The convex hulls are approximated in m/z dimension (Kroenik lacks this information)!\n";
 
  157     template <
typename SpectrumType>
 
  158     void store(
const String & filename, 
const SpectrumType & spectrum)
 const 
  160       std::cerr << 
"Store() for KroenikFile not implemented. Filename was: " << filename << 
", spec of size " << spectrum.size() << 
"\n";
 
  167 #endif // OPENMS_FORMAT_KROENIKFILE_H 
const ChargeType & getCharge() const 
Non-mutable access to charge state. 
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
#define LOG_INFO
Macro if a information, e.g. a status should be reported. 
Definition: LogStream.h:455
void setY(CoordinateType c)
Name mutator for the second dimension. Only for DPosition<2>, for visualization. 
Definition: DPosition.h:170
File adapter for Kroenik (HardKloer sibling) files. 
Definition: KroenikFile.h:67
A 2-dimensional hull representation in [counter]clockwise direction - depending on axis labelling...
Definition: ConvexHull2D.h:75
const double PROTON_MASS_U
void setIntensity(IntensityType intensity)
Non-mutable access to the data point intensity (height) 
Definition: Peak2D.h:167
void setRT(CoordinateType coordinate)
Mutable access to the RT coordinate (index 0) 
Definition: Peak2D.h:209
void setX(CoordinateType c)
Name mutator for the first dimension. Only for DPosition<2>, for visualization. 
Definition: DPosition.h:163
An LC-MS feature. 
Definition: Feature.h:66
CoordinateType getMZ() const 
Returns the m/z coordinate (index 1) 
Definition: Peak2D.h:191
void store(const String &filename, const SpectrumType &spectrum) const 
Stores a featureXML as a Kroenik file. 
Definition: KroenikFile.h:158
void setConvexHulls(const std::vector< ConvexHull2D > &hulls)
Set the convex hulls of single mass traces. 
bool addPoint(const PointType &point)
void setOverallQuality(QualityType q)
Set the overall quality. 
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 Kroenik file into a featureXML. 
Definition: KroenikFile.h:84
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
double DoubleReal
Double-precision real type. 
Definition: Types.h:118