36 #ifndef OPENMS_CHEMISTRY_MODIFICATIONDEFINITIONSSET_H
37 #define OPENMS_CHEMISTRY_MODIFICATIONDEFINITIONSSET_H
81 void setMaxModifications(
Size max_mod);
85 Size getMaxModifications()
const;
88 Size getNumberOfModifications()
const;
91 Size getNumberOfFixedModifications()
const;
94 Size getNumberOfVariableModifications()
const;
100 void setModifications(
const std::set<ModificationDefinition> & mod_defs);
108 void setModifications(
const String & fixed_modifications,
const String & variable_modifications);
111 void setModifications(
const StringList & fixed_modifications,
const StringList & variable_modifications);
114 std::set<ModificationDefinition> getModifications()
const;
117 const std::set<ModificationDefinition> & getFixedModifications()
const;
120 const std::set<ModificationDefinition> & getVariableModifications()
const;
123 std::set<String> getModificationNames()
const;
126 std::set<String> getFixedModificationNames()
const;
129 std::set<String> getVariableModificationNames()
const;
142 bool isCompatible(
const AASequence & peptide)
const;
std::set< ModificationDefinition > fixed_mods_
Definition: ModificationDefinitionsSet.h:157
A more convenient string class.
Definition: String.h:57
Representation of a peptide/protein sequence.
Definition: AASequence.h:70
Representation of a set of modification definitions.
Definition: ModificationDefinitionsSet.h:58
std::vector< String > StringList
Vector of String.
Definition: ListUtils.h:74
Representation of modification definition.
Definition: ModificationDefinition.h:53
std::set< ModificationDefinition > variable_mods_
Definition: ModificationDefinitionsSet.h:155
Size max_mods_per_peptide_
Definition: ModificationDefinitionsSet.h:159