From Oleg.Ishkov at pet.hw.ac.uk Mon Jun 2 16:21:25 2014 From: Oleg.Ishkov at pet.hw.ac.uk (Oleg Ishkov) Date: Mon, 2 Jun 2014 14:21:25 +0000 Subject: [Rphree-general] Rphree:AddProp function. Are "PURE" and "EQUILIBRIUM_PHASES" the same? Message-ID: <5ADC15F9E5C47746A81ACE05ACF117863CF4EF9E@petmail.WIN.PET.HW.AC.UK> Dear Marco, I noticed that function AddProp looks for "PURE" string sequence [line 21: markpure <- grep("PURE", input) ] to mark a place where to insert a new property. Could you please let me know am I understand it right that "Pure" and "EQUILIBRIUM_PHASES" are the same keywords? I checked manual for PHREEQC and there is no PURE keyword (PHREEQC v3). Thank you! Best regards, Oleg ------------------------------------------------------------------ Dr Oleg Ishkov Office: +44(0) 131 451 4336 Inst. of Petroleum Engineering Fax: +44(0) 131 451 3127 Heriot-Watt University Mobile: +44(0) 79089 50674 Riccarton Edinburgh EH14 4AS Oleg.Ishkov at pet.hw.ac.uk United Kingdom www.pet.hw.ac.uk/research/fast ----- Sunday Times Scottish University of the Year 2011-2013 Top in the UK for student experience Fourth university in the UK and top in Scotland (National Student Survey 2012) We invite research leaders and ambitious early career researchers to join us in leading and driving research in key inter-disciplinary themes. Please see www.hw.ac.uk/researchleaders for further information and how to apply. Heriot-Watt University is a Scottish charity registered under charity number SC000278. -------------- next part -------------- An HTML attachment was scrubbed... URL: From Oleg.Ishkov at pet.hw.ac.uk Mon Jun 2 16:45:04 2014 From: Oleg.Ishkov at pet.hw.ac.uk (Oleg Ishkov) Date: Mon, 2 Jun 2014 14:45:04 +0000 Subject: [Rphree-general] Rphree:AddProp function. Are "PURE" and "EQUILIBRIUM_PHASES" the same? Message-ID: <5ADC15F9E5C47746A81ACE05ACF117863CF4EFB7@petmail.WIN.PET.HW.AC.UK> I am very sorry. My mistake, found that PURE=EQUILIBRIUM_PHASES. As an suggestion, shall we add may be in AddProp l21: markpure <- grep("PURE", input) something like markpure <- grep("PURE|EQUILIBRIUM|EQUILIBRIA|PURE_PHASES|PURE", input) ? Sorry for the inconvenience. Best regards, Oleg From: Oleg Ishkov Sent: 02 June 2014 15:21 To: 'rphree-general at lists.r-forge.r-project.org' Subject: Rphree:AddProp function. Are "PURE" and "EQUILIBRIUM_PHASES" the same? Dear Marco, I noticed that function AddProp looks for "PURE" string sequence [line 21: markpure <- grep("PURE", input) ] to mark a place where to insert a new property. Could you please let me know am I understand it right that "Pure" and "EQUILIBRIUM_PHASES" are the same keywords? I checked manual for PHREEQC and there is no PURE keyword (PHREEQC v3). Thank you! Best regards, Oleg ------------------------------------------------------------------ Dr Oleg Ishkov Office: +44(0) 131 451 4336 Inst. of Petroleum Engineering Fax: +44(0) 131 451 3127 Heriot-Watt University Mobile: +44(0) 79089 50674 Riccarton Edinburgh EH14 4AS Oleg.Ishkov at pet.hw.ac.uk United Kingdom www.pet.hw.ac.uk/research/fast ----- Sunday Times Scottish University of the Year 2011-2013 Top in the UK for student experience Fourth university in the UK and top in Scotland (National Student Survey 2012) We invite research leaders and ambitious early career researchers to join us in leading and driving research in key inter-disciplinary themes. Please see www.hw.ac.uk/researchleaders for further information and how to apply. Heriot-Watt University is a Scottish charity registered under charity number SC000278. -------------- next part -------------- An HTML attachment was scrubbed... URL: From delucia at gfz-potsdam.de Tue Jun 3 14:00:22 2014 From: delucia at gfz-potsdam.de (Marco De Lucia) Date: Tue, 03 Jun 2014 14:00:22 +0200 Subject: [Rphree-general] Rphree:AddProp function. Are "PURE" and "EQUILIBRIUM_PHASES" the same? In-Reply-To: <5ADC15F9E5C47746A81ACE05ACF117863CF4EFB7@petmail.WIN.PET.HW.AC.UK> References: <5ADC15F9E5C47746A81ACE05ACF117863CF4EFB7@petmail.WIN.PET.HW.AC.UK> Message-ID: <538DB8D6.3070600@gfz-potsdam.de> Hi Oleg, On 02/06/2014 16:45, Oleg Ishkov wrote: > I am very sorry. My mistake, found that PURE=EQUILIBRIUM_PHASES. > > As an suggestion, shall we add may be in > > AddProp l21: > > markpure <- grep("PURE", input) > > something like > > markpure <- grep("PURE|EQUILIBRIUM|EQUILIBRIA|PURE_PHASES|PURE", input) ? I will test it a little and then commit it. Thanks for the suggestion! > I checked manual for PHREEQC and there is no PURE keyword (PHREEQC v3). NB: Rphree is based on 2.17! I will put on the Rphree's home page a link to download the manual for this version. Cheers, M -- Dr. Marco De Lucia Section 5.3 - Hydrogeology Helmholtz-Centre Potsdam GFZ - German Research Centre for Geosciences Telegrafenberg, 14473 Potsdam Tel : +49 (0) 331 288-2829 Fax : +49 (0) 331 288-1529 E-Mail : delucia at gfz-potsdam.de