36 #ifndef OPENMS_CHEMISTRY_MODIFICATIONDEFINITIONSSET_H
37 #define OPENMS_CHEMISTRY_MODIFICATIONDEFINITIONSSET_H
83 void setMaxModifications(
Size max_mod);
87 Size getMaxModifications()
const;
90 Size getNumberOfModifications()
const;
93 Size getNumberOfFixedModifications()
const;
96 Size getNumberOfVariableModifications()
const;
102 void setModifications(
const std::set<ModificationDefinition> & mod_defs);
110 void setModifications(
const String & fixed_modifications,
const String & variable_modifications);
113 void setModifications(
const StringList & fixed_modifications,
const StringList & variable_modifications);
116 std::set<ModificationDefinition> getModifications()
const;
119 const std::set<ModificationDefinition> & getFixedModifications()
const;
122 const std::set<ModificationDefinition> & getVariableModifications()
const;
125 std::set<String> getModificationNames()
const;
128 std::set<String> getFixedModificationNames()
const;
131 std::set<String> getVariableModificationNames()
const;
144 bool isCompatible(
const AASequence & peptide)
const;
std::set< ModificationDefinition > fixed_mods_
Definition: ModificationDefinitionsSet.h:159
A more convenient string class.
Definition: String.h:56
Representation of a peptide/protein sequence.
Definition: AASequence.h:84
Representation of a set of modification definitions.
Definition: ModificationDefinitionsSet.h:57
static StringList create(const String &list, const char splitter= ',')
Returns a list that is created by splitting the given (comma-separated) string (String are not trimme...
Representation of modification definition.
Definition: ModificationDefinition.h:53
std::set< ModificationDefinition > variable_mods_
Definition: ModificationDefinitionsSet.h:157
String list.
Definition: StringList.h:56
size_t Size
Size type e.g. used as variable which can hold result of size()
Definition: Types.h:144
Size max_mods_per_peptide_
Definition: ModificationDefinitionsSet.h:161