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git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3844 1feff8c3-07ed-0310-ac33-dd36852eb9cd
This commit is contained in:
David L Parkhurst
parent
9f7e982ffe
commit
51183867e4
1510
System.cxx
1510
System.cxx
File diff suppressed because it is too large
Load Diff
196
phast.xsd
196
phast.xsd
@ -1,98 +1,98 @@
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<?xml version="1.0"?>
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<xs:schema xmlns:xs='http://www.w3.org/2001/XMLSchema'>
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<xs:element name="phast_state">
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<xs:complexType>
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<xs:sequence>
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<xs:element ref="system" minOccurs='0' maxOccurs='unbounded'/>
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</xs:sequence>
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<xs:attribute name="nx" type="xs:integer" use='required'/>
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</xs:complexType>
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</xs:element>
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<xs:element name="system">
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<xs:complexType>
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<xs:sequence>
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<xs:element ref="solution" minOccurs='0' maxOccurs="unbounded"/>
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</xs:sequence>
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<xs:attribute name="system_number" type="xs:integer" use='required'/>
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</xs:complexType>
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</xs:element>
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<xs:element name="solution">
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<xs:complexType>
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<xs:sequence>
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<xs:element ref="soln_pe" minOccurs='0' maxOccurs='unbounded'/>
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<xs:element ref="soln_total" minOccurs='0' maxOccurs='unbounded'/>
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<xs:element ref="soln_m_a" minOccurs='0' maxOccurs='unbounded'/>
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<xs:element ref="soln_s_g" minOccurs='0' maxOccurs='unbounded'/>
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<xs:element ref="soln_isotopes" minOccurs='0' maxOccurs='unbounded'/>
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</xs:sequence>
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<xs:attribute name="soln_new_def" type="xs:integer" use='required'/>
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<xs:attribute name="soln_n_user" type="xs:integer" use='required'/>
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<xs:attribute name="soln_n_user_end" type="xs:integer" use='required'/>
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<xs:attribute name="soln_description" type="xs:string" use='required'/>
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<xs:attribute name="soln_tc" type="xs:double" use='required'/>
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<xs:attribute name="soln_ph" type="xs:double" use='required'/>
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<xs:attribute name="soln_solution_pe" type="xs:double" use='required'/>
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<xs:attribute name="soln_mu" type="xs:double" use='required'/>
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<xs:attribute name="soln_ah2o" type="xs:double" use='required'/>
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<xs:attribute name="soln_density" type="xs:double" use='required'/>
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<xs:attribute name="soln_total_h" type="xs:double" use='required'/>
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<xs:attribute name="soln_total_o" type="xs:double" use='required'/>
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<xs:attribute name="soln_cb" type="xs:double" use='required'/>
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<xs:attribute name="soln_mass_water" type="xs:double" use='required'/>
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<xs:attribute name="soln_total_alkalinity" type="xs:double" use='required'/>
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<xs:attribute name="soln_total_co2" type="xs:double" use='required'/>
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<xs:attribute name="soln_units" type="xs:string" use='required'/>
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<xs:attribute name="soln_default_pe" type="xs:integer" use='required'/>
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<xs:attribute name="soln_count_master_activity" type="xs:integer" use='required'/>
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<xs:attribute name="soln_count_isotopes" type="xs:integer" use='required'/>
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<xs:attribute name="soln_count_species_gamma" type="xs:integer" use='required'/>
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</xs:complexType>
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</xs:element>
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<xs:element name="soln_pe">
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<xs:complexType>
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<xs:attribute name="soln_pe_name" type="xs:string" use='required'/>
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</xs:complexType>
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</xs:element>
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<xs:element name="soln_total">
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<xs:complexType>
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<xs:attributeGroup ref="conc" />
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</xs:complexType>
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</xs:element>
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<xs:attributeGroup name="conc">
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<xs:attribute name="conc_desc" type="xs:string" use='required'/>
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<xs:attribute name="conc_moles" type="xs:double" use='required'/>
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<xs:attribute name="conc_input_conc" type="xs:double" />
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<xs:attribute name="conc_units" type="xs:string" />
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<xs:attribute name="conc_equation_name" type="xs:string" />
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<xs:attribute name="conc_phase_si" type="xs:double" />
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<xs:attribute name="conc_n_pe" type="xs:integer" use='required'/>
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<xs:attribute name="conc_as" type="xs:string" />
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<xs:attribute name="conc_gfw" type="xs:double" />
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</xs:attributeGroup>
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<xs:attributeGroup name="master_activity">
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<xs:attribute name="m_a_desc" type="xs:string" use='required'/>
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<xs:attribute name="m_a_la" type="xs:double" use='required'/>
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</xs:attributeGroup>
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<xs:element name="soln_m_a">
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<xs:complexType>
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<xs:attributeGroup ref="master_activity" />
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</xs:complexType>
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</xs:element>
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<xs:element name="soln_s_g">
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<xs:complexType>
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<xs:attributeGroup ref="master_activity" />
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</xs:complexType>
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</xs:element>
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<xs:element name="soln_isotopes">
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<xs:complexType>
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<xs:attribute name="iso_isotope_number" type="xs:integer" use='required'/>
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<xs:attribute name="iso_elt_name" type="xs:string" use='required'/>
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<xs:attribute name="iso_isotope_name" type="xs:string" use='required'/>
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<xs:attribute name="iso_total" type="xs:double" use='required'/>
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<xs:attribute name="iso_ratio" type="xs:double" use='required'/>
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<xs:attribute name="iso_ratio_uncertainty" type="xs:double" use='required'/>
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<xs:attribute name="iso_coef" type="xs:double" use='required'/>
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</xs:complexType>
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</xs:element>
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</xs:schema>
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<?xml version="1.0"?>
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<xs:schema xmlns:xs='http://www.w3.org/2001/XMLSchema'>
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<xs:element name="phast_state">
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<xs:complexType>
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<xs:sequence>
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<xs:element ref="system" minOccurs='0' maxOccurs='unbounded'/>
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</xs:sequence>
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<xs:attribute name="nx" type="xs:integer" use='required'/>
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</xs:complexType>
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</xs:element>
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<xs:element name="system">
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<xs:complexType>
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<xs:sequence>
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<xs:element ref="solution" minOccurs='0' maxOccurs="unbounded"/>
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</xs:sequence>
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<xs:attribute name="system_number" type="xs:integer" use='required'/>
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</xs:complexType>
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</xs:element>
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<xs:element name="solution">
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<xs:complexType>
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<xs:sequence>
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<xs:element ref="soln_pe" minOccurs='0' maxOccurs='unbounded'/>
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<xs:element ref="soln_total" minOccurs='0' maxOccurs='unbounded'/>
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<xs:element ref="soln_m_a" minOccurs='0' maxOccurs='unbounded'/>
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<xs:element ref="soln_s_g" minOccurs='0' maxOccurs='unbounded'/>
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<xs:element ref="soln_isotopes" minOccurs='0' maxOccurs='unbounded'/>
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</xs:sequence>
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<xs:attribute name="soln_new_def" type="xs:integer" use='required'/>
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<xs:attribute name="soln_n_user" type="xs:integer" use='required'/>
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<xs:attribute name="soln_n_user_end" type="xs:integer" use='required'/>
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<xs:attribute name="soln_description" type="xs:string" use='required'/>
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<xs:attribute name="soln_tc" type="xs:double" use='required'/>
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<xs:attribute name="soln_ph" type="xs:double" use='required'/>
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<xs:attribute name="soln_solution_pe" type="xs:double" use='required'/>
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<xs:attribute name="soln_mu" type="xs:double" use='required'/>
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<xs:attribute name="soln_ah2o" type="xs:double" use='required'/>
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<xs:attribute name="soln_density" type="xs:double" use='required'/>
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<xs:attribute name="soln_total_h" type="xs:double" use='required'/>
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<xs:attribute name="soln_total_o" type="xs:double" use='required'/>
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<xs:attribute name="soln_cb" type="xs:double" use='required'/>
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<xs:attribute name="soln_mass_water" type="xs:double" use='required'/>
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<xs:attribute name="soln_total_alkalinity" type="xs:double" use='required'/>
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<xs:attribute name="soln_total_co2" type="xs:double" use='required'/>
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<xs:attribute name="soln_units" type="xs:string" use='required'/>
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<xs:attribute name="soln_default_pe" type="xs:integer" use='required'/>
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<xs:attribute name="soln_count_master_activity" type="xs:integer" use='required'/>
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<xs:attribute name="soln_count_isotopes" type="xs:integer" use='required'/>
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<xs:attribute name="soln_count_species_gamma" type="xs:integer" use='required'/>
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</xs:complexType>
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</xs:element>
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<xs:element name="soln_pe">
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<xs:complexType>
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<xs:attribute name="soln_pe_name" type="xs:string" use='required'/>
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</xs:complexType>
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</xs:element>
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<xs:element name="soln_total">
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<xs:complexType>
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<xs:attributeGroup ref="conc" />
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</xs:complexType>
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</xs:element>
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<xs:attributeGroup name="conc">
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<xs:attribute name="conc_desc" type="xs:string" use='required'/>
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<xs:attribute name="conc_moles" type="xs:double" use='required'/>
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<xs:attribute name="conc_input_conc" type="xs:double" />
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<xs:attribute name="conc_units" type="xs:string" />
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<xs:attribute name="conc_equation_name" type="xs:string" />
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<xs:attribute name="conc_phase_si" type="xs:double" />
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<xs:attribute name="conc_n_pe" type="xs:integer" use='required'/>
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<xs:attribute name="conc_as" type="xs:string" />
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<xs:attribute name="conc_gfw" type="xs:double" />
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</xs:attributeGroup>
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<xs:attributeGroup name="master_activity">
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<xs:attribute name="m_a_desc" type="xs:string" use='required'/>
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<xs:attribute name="m_a_la" type="xs:double" use='required'/>
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</xs:attributeGroup>
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<xs:element name="soln_m_a">
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<xs:complexType>
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<xs:attributeGroup ref="master_activity" />
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</xs:complexType>
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</xs:element>
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<xs:element name="soln_s_g">
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<xs:complexType>
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<xs:attributeGroup ref="master_activity" />
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</xs:complexType>
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</xs:element>
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<xs:element name="soln_isotopes">
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<xs:complexType>
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<xs:attribute name="iso_isotope_number" type="xs:integer" use='required'/>
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<xs:attribute name="iso_elt_name" type="xs:string" use='required'/>
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<xs:attribute name="iso_isotope_name" type="xs:string" use='required'/>
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<xs:attribute name="iso_total" type="xs:double" use='required'/>
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<xs:attribute name="iso_ratio" type="xs:double" use='required'/>
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<xs:attribute name="iso_ratio_uncertainty" type="xs:double" use='required'/>
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<xs:attribute name="iso_coef" type="xs:double" use='required'/>
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</xs:complexType>
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</xs:element>
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</xs:schema>
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140
test.xml
140
test.xml
@ -1,70 +1,70 @@
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<?xml version="1.0" ?>
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<phast_state nx="2">
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<system system_number="1">
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<solution
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soln_new_def="0"
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soln_n_user="2"
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soln_n_user_end="2"
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soln_description="Test solution"
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soln_tc="25.0"
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soln_ph="6.3"
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soln_solution_pe="4.5"
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soln_mu="0.0011"
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soln_ah2o="0.995"
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soln_density="1.0"
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soln_total_h="111.1"
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soln_total_o="55.5"
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soln_cb="1e-15"
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soln_mass_water="1.0"
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soln_total_alkalinity="0.001"
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soln_total_co2="0.002"
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soln_units="mg/L"
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soln_default_pe="0"
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soln_count_totals="2"
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soln_count_master_activity="2"
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soln_count_isotopes="0"
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soln_count_species_gamma="0">
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<soln_pe soln_pe_name="Fe(2)/Fe(3)"/>
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<soln_total
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conc_desc="Ca"
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conc_moles="0.001"
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conc_input_conc="0.001"
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conc_equation_name="Fe(2)/Fe(3)"
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conc_phase_si="0.0"
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conc_n_pe="0"
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conc_as="mg/L"
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conc_gfw="40.08"/>
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<soln_total
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conc_desc="Na"
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conc_moles="0.001"
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conc_input_conc="0.001"
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conc_equation_name="Fe(2)/Fe(3)"
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conc_phase_si="0.0"
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conc_n_pe="0"
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conc_as="mg/L"
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conc_gfw="40.08"/>
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<soln_m_a m_a_desc="Ca+2" m_a_la="-3.0"/>
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<soln_m_a m_a_desc="Cl-" m_a_la="-3.0"/>
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<soln_m_a m_a_desc="C" m_a_la="-3.0"/>
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<soln_s_g m_a_desc="CO3-2" m_a_la=".1"/>
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<soln_s_g m_a_desc="HCO3-" m_a_la=".2"/>
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<soln_s_g m_a_desc="CO2" m_a_la=".3"/>
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<soln_isotopes
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iso_isotope_number="2"
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iso_elt_name="H"
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iso_isotope_name="D"
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iso_total="1e-6"
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iso_ratio="11."
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iso_ratio_uncertainty="0.5"
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iso_coef="2.2"/>
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<soln_isotopes
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iso_isotope_number="3"
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iso_elt_name="H"
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iso_isotope_name="T"
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iso_total="1e-14"
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iso_ratio="3.1"
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iso_ratio_uncertainty="0.25"
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iso_coef="2.1"/>
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</solution>
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</system>
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</phast_state>
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<?xml version="1.0" ?>
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<phast_state nx="2">
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<system system_number="1">
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<solution
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soln_new_def="0"
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soln_n_user="2"
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soln_n_user_end="2"
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soln_description="Test solution"
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soln_tc="25.0"
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soln_ph="6.3"
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soln_solution_pe="4.5"
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soln_mu="0.0011"
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soln_ah2o="0.995"
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soln_density="1.0"
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soln_total_h="111.1"
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soln_total_o="55.5"
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soln_cb="1e-15"
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soln_mass_water="1.0"
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soln_total_alkalinity="0.001"
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soln_total_co2="0.002"
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soln_units="mg/L"
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soln_default_pe="0"
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soln_count_totals="2"
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soln_count_master_activity="2"
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soln_count_isotopes="0"
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soln_count_species_gamma="0">
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<soln_pe soln_pe_name="Fe(2)/Fe(3)"/>
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<soln_total
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conc_desc="Ca"
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conc_moles="0.001"
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conc_input_conc="0.001"
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conc_equation_name="Fe(2)/Fe(3)"
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conc_phase_si="0.0"
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conc_n_pe="0"
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conc_as="mg/L"
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conc_gfw="40.08"/>
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<soln_total
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conc_desc="Na"
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conc_moles="0.001"
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conc_input_conc="0.001"
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conc_equation_name="Fe(2)/Fe(3)"
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conc_phase_si="0.0"
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conc_n_pe="0"
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conc_as="mg/L"
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conc_gfw="40.08"/>
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<soln_m_a m_a_desc="Ca+2" m_a_la="-3.0"/>
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<soln_m_a m_a_desc="Cl-" m_a_la="-3.0"/>
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<soln_m_a m_a_desc="C" m_a_la="-3.0"/>
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<soln_s_g m_a_desc="CO3-2" m_a_la=".1"/>
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<soln_s_g m_a_desc="HCO3-" m_a_la=".2"/>
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<soln_s_g m_a_desc="CO2" m_a_la=".3"/>
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<soln_isotopes
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iso_isotope_number="2"
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iso_elt_name="H"
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iso_isotope_name="D"
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iso_total="1e-6"
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iso_ratio="11."
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iso_ratio_uncertainty="0.5"
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iso_coef="2.2"/>
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<soln_isotopes
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iso_isotope_number="3"
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iso_elt_name="H"
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iso_isotope_name="T"
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iso_total="1e-14"
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iso_ratio="3.1"
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iso_ratio_uncertainty="0.25"
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iso_coef="2.1"/>
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</solution>
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</system>
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</phast_state>
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